data_6y8v_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 6y8v _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 ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.545 0.761 0 CA-C-O 121.281 0.562 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 163.95 31.43 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.813 1.645 . . . . 0.0 110.203 171.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.86 172.08 10.71 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.942 0.897 . . . . 0.0 112.558 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -100.86 152.06 20.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.526 0.73 . . . . 0.0 111.232 156.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.3 t -111.07 140.24 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.817 1.247 . . . . 0.0 109.321 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 p -128.76 138.1 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.959 1.303 . . . . 0.0 111.626 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 CA--C 1.546 0.808 0 C-N-CA 125.927 1.691 . . . . 0.0 111.249 -175.792 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.478 0.656 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -140.16 137.26 34.27 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.897 1.679 . . . . 0.0 110.674 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -127.72 125.35 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.449 1.499 . . . . 0.0 108.634 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.1 169.8 26.94 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.464 1.03 . . . . 0.0 114.301 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 54.41 35.05 22.2 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.698 1.599 . . . . 0.0 114.196 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.87 125.84 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.609 1.164 . . . . 0.0 110.91 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -90.92 -41.97 10.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.61 1.964 . . . . 0.0 111.256 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -154.98 157.02 37.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.752 1.221 . . . . 0.0 112.837 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.0 139.15 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.114 1.766 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -135.79 124.45 23.77 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.89 1.276 . . . . 0.0 110.985 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.44 109.71 20.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.347 1.059 . . . . 0.0 110.06 168.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -81.0 174.41 11.65 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.772 1.229 . . . . 0.0 111.177 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.01 42.28 0.6 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.645 1.593 . . . . 0.0 115.151 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.86 -1.01 0.09 OUTLIER Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.234 1.397 . . . . 0.0 116.443 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.07 155.55 29.46 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.599 1.56 . . . . 0.0 112.351 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.5 136.08 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.745 0.818 . . . . 0.0 110.97 166.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -113.21 143.58 44.14 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.718 2.007 . . . . 0.0 110.727 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.78 126.2 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 109.403 -174.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -121.43 132.73 54.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.215 1.006 . . . . 0.0 110.961 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.8 p -88.7 163.84 15.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 122.329 1.062 . . . . 0.0 113.419 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.1 tp -56.86 -24.9 54.91 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.411 2.284 . . . . 0.0 112.987 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.2 23.05 15.05 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.287 1.835 . . . . 0.0 113.196 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 62.02 28.72 17.4 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.704 2.001 . . . . 0.0 115.136 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.5 157.04 18.26 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.947 -1.095 . . . . 0.0 110.429 162.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -139.13 143.26 38.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.422 1.089 . . . . 0.0 112.383 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -129.78 149.18 51.63 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.877 2.071 . . . . 0.0 110.099 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 141.34 30.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.972 0.909 . . . . 0.0 112.659 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -141.29 105.05 6.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.316 1.446 . . . . 0.0 111.365 -168.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.99 147.09 60.63 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.665 2.243 . . . . 0.0 112.108 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 16.04 80.98 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 115.229 0.852 . . . . 0.0 115.229 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -107.28 162.76 13.61 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 112.447 171.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 160.46 39.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.914 2.086 . . . . 0.0 109.965 166.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.4 mt -77.56 122.28 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.005 -1.059 . . . . 0.0 109.709 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.21 -44.78 2.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.724 1.631 . . . . 0.0 114.822 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -142.27 151.02 41.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.052 1.341 . . . . 0.0 112.814 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -137.47 106.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 126.139 1.775 . . . . 0.0 108.569 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -113.87 87.54 2.64 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.116 1.366 . . . . 0.0 110.349 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.87 -32.41 73.93 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.172 0.989 . . . . 0.0 111.941 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 ttm105 -56.24 -35.47 67.42 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.0 1.32 . . . . 0.0 112.623 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -106.03 -18.18 14.11 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.587 1.555 . . . . 0.0 114.029 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.86 37.48 50.85 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.6 1.095 . . . . 0.0 113.546 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.8 t -124.55 133.0 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.329 1.052 . . . . 0.0 111.975 -172.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.3 mt -119.43 133.0 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 108.669 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -122.86 127.49 49.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.96 0.904 . . . . 0.0 111.244 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 mt -100.31 150.01 23.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.976 1.311 . . . . 0.0 112.199 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.99 157.82 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.444 1.898 . . . . 0.0 110.855 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 123.845 0.858 . . . . 0.0 111.727 -178.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -146.38 -178.55 6.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.716 0.807 . . . . 0.0 113.013 -169.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -122.03 142.5 50.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.753 1.221 . . . . 0.0 112.289 167.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -97.32 139.32 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.821 1.248 . . . . 0.0 109.894 174.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -126.35 141.29 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.163 1.385 . . . . 0.0 110.856 168.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.756 -176.648 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.24 139.49 35.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.721 1.209 . . . . 0.0 111.62 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.0 mt -130.51 119.14 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.58 1.952 . . . . 0.0 109.602 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.3 168.21 36.55 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.386 0.993 . . . . 0.0 114.531 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 56.94 34.57 25.08 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.027 1.731 . . . . 0.0 115.18 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.68 133.26 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.33 1.852 . . . . 0.0 111.299 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -107.44 -22.62 12.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.913 1.285 . . . . 0.0 113.863 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -155.22 151.66 28.39 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -134.35 137.67 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.823 2.049 . . . . 0.0 109.285 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -133.51 131.72 40.14 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.709 1.204 . . . . 0.0 111.453 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.78 110.39 21.73 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.785 0.834 . . . . 0.0 110.236 167.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.2 173.74 11.84 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.212 1.405 . . . . 0.0 111.285 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.84 43.43 0.78 Allowed Glycine 0 CA--C 1.544 1.858 0 C-N-CA 125.722 1.629 . . . . 0.0 115.413 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.19 -1.99 0.19 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.925 1.25 . . . . 0.0 115.887 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.76 162.16 40.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.39 1.595 . . . . 0.0 112.295 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.89 134.87 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.508 0.723 . . . . 0.0 110.933 164.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -106.41 146.25 30.72 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.062 2.145 . . . . 0.0 111.0 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -138.44 133.46 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.122 1.769 . . . . 0.0 109.574 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -131.18 132.05 44.46 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 0.82 . . . . 0.0 112.345 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.3 p -91.31 167.66 12.14 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -53.96 -30.74 48.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.354 2.262 . . . . 0.0 113.111 169.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -96.52 18.47 14.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.172 1.389 . . . . 0.0 113.122 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 60.8 25.48 15.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.649 1.98 . . . . 0.0 114.734 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -81.02 126.75 31.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.155 -0.966 . . . . 0.0 109.302 166.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -104.59 138.13 41.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.223 1.009 . . . . 0.0 111.207 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.29 146.59 50.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.975 1.71 . . . . 0.0 109.343 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.47 140.48 30.38 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.631 0.772 . . . . 0.0 112.303 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.6 109.91 8.73 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 125.222 1.409 . . . . 0.0 111.378 -170.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -71.04 146.69 52.93 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.976 2.451 . . . . 0.0 112.381 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.28 7.54 87.77 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.941 1.258 . . . . 0.0 115.319 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.86 164.99 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.084 1.442 . . . . 0.0 113.112 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.62 158.36 44.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.901 2.081 . . . . 0.0 110.566 166.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.4 mt -77.96 120.75 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.466 -0.771 . . . . 0.0 109.461 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.31 -51.14 1.62 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.934 1.254 . . . . 0.0 114.471 -172.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -145.92 148.23 32.58 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.755 1.222 . . . . 0.0 112.013 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.25 135.45 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.613 1.965 . . . . 0.0 109.128 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -139.46 111.26 7.27 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 110.316 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -84.94 -20.61 30.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.452 1.101 . . . . 0.0 112.485 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -69.11 -49.84 53.48 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.162 1.385 . . . . 0.0 110.425 171.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.8 m -82.64 -23.27 34.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.32 48.61 29.98 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.928 0.775 . . . . 0.0 112.339 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.0 t -133.98 140.44 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.716 1.207 . . . . 0.0 111.374 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.76 133.77 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.601 1.56 . . . . 0.0 109.479 167.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.51 126.91 55.47 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.676 1.19 . . . . 0.0 111.258 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.7 151.27 20.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.088 1.355 . . . . 0.0 111.831 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.43 158.48 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.671 1.588 . . . . 0.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.472 0.648 0 C-N-CA 123.902 0.881 . . . . 0.0 110.883 177.432 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.012 0.435 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.75 164.56 30.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.635 1.574 . . . . 0.0 110.574 170.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.78 -175.69 4.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.424 1.089 . . . . 0.0 111.6 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -120.19 145.38 47.04 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.803 0.841 . . . . 0.0 112.716 164.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -90.12 145.12 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.341 1.056 . . . . 0.0 110.369 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.19 137.8 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.102 1.361 . . . . 0.0 110.748 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 126.483 1.913 . . . . 0.0 110.464 178.046 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -136.71 146.2 45.58 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.911 1.285 . . . . 0.0 112.137 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.9 mt -130.46 120.55 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.86 1.664 . . . . 0.0 108.565 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 173.8 38.54 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.176 0.893 . . . . 0.0 114.452 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 55.8 35.84 26.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.052 1.741 . . . . 0.0 114.319 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.19 127.62 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.618 1.567 . . . . 0.0 111.975 -174.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.7 mt -90.21 -31.89 16.83 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.581 1.552 . . . . 0.0 112.974 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -155.78 151.89 27.79 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.7 137.82 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 127.322 2.249 . . . . 0.0 109.019 174.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -146.19 122.88 11.18 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.456 0.702 . . . . 0.0 112.81 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 139.04 36.51 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.56 0.695 . . . . 0.0 109.803 161.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -132.73 -169.49 2.26 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.566 1.946 . . . . 0.0 110.517 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.26 -12.71 25.52 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 117.184 1.633 . . . . 0.0 117.184 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.82 20.84 0.1 Allowed Glycine 0 CA--C 1.536 1.388 0 CA-C-N 119.107 1.453 . . . . 0.0 115.542 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.25 165.61 31.11 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.734 1.214 . . . . 0.0 112.021 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -107.84 140.24 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.396 0.678 . . . . 0.0 110.334 158.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -121.61 147.76 45.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.309 1.444 . . . . 0.0 111.371 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -138.51 126.81 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.835 1.654 . . . . 0.0 109.864 -169.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.8 m -121.72 133.08 54.94 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.76 0.824 . . . . 0.0 111.461 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.4 p -97.88 168.29 10.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.242 1.417 . . . . 0.0 114.207 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.78 -25.03 17.23 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.934 2.493 . . . . 0.0 114.334 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.3 17.73 23.49 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.344 1.458 . . . . 0.0 113.276 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 62.01 14.21 6.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.382 2.273 . . . . 0.0 114.983 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -76.32 145.63 39.41 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.758 -1.214 . . . . 0.0 110.391 165.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -132.39 143.99 50.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.313 1.045 . . . . 0.0 111.765 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -124.41 150.03 46.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.818 1.647 . . . . 0.0 110.236 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.68 35.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.737 1.215 . . . . 0.0 111.797 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -138.73 102.2 7.82 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 125.403 1.481 . . . . 0.0 110.844 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.66 144.37 65.79 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.678 2.252 . . . . 0.0 112.021 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.06 15.75 81.35 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.371 0.986 . . . . 0.0 115.34 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.88 164.06 12.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.989 1.394 . . . . 0.0 112.817 171.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.4 163.92 31.73 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.837 2.455 . . . . 0.0 109.957 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.6 mt -79.98 124.72 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.35 -40.34 3.25 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.768 1.175 . . . . 0.0 114.301 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.5 mtm-85 -142.96 151.8 41.3 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.187 0.995 . . . . 0.0 112.645 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -123.66 107.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 126.266 1.826 . . . . 0.0 107.307 164.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -104.44 61.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.724 2.01 . . . . 0.0 109.646 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.68 -21.9 66.85 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.993 1.317 . . . . 0.0 113.342 -172.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -54.64 -30.55 55.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.3 1.84 . . . . 0.0 112.691 167.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.6 m -115.3 -2.22 12.72 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.99 65.56 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.31 0.957 . . . . 0.0 113.996 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.37 141.98 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.903 1.351 . . . . 0.0 112.114 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.94 128.63 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.592 1.557 . . . . 0.0 109.502 171.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 m -110.11 129.56 55.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.594 1.157 . . . . 0.0 111.361 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.1 mt -99.99 153.81 18.89 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.423 1.089 . . . . 0.0 112.598 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.71 159.46 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.397 1.879 . . . . 0.0 111.084 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 124.493 1.117 . . . . 0.0 112.21 -178.595 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.803 0.335 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.52 178.05 7.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.533 1.533 . . . . 0.0 111.707 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -109.97 141.71 42.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.276 0.631 . . . . 0.0 111.952 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.57 146.4 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.188 0.995 . . . . 0.0 110.54 167.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.97 134.59 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.53 1.132 . . . . 0.0 111.566 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 126.487 1.915 . . . . 0.0 110.661 178.612 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -137.81 147.08 44.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.2 1.0 . . . . 0.0 111.838 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -129.93 121.69 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.484 1.514 . . . . 0.0 108.437 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 167.73 37.75 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.193 0.901 . . . . 0.0 114.507 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 55.27 35.87 25.83 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.963 1.705 . . . . 0.0 113.891 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.65 133.89 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.978 1.711 . . . . 0.0 111.276 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 41.2 mt -109.21 -22.07 12.27 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.308 1.443 . . . . 0.0 114.028 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -154.89 151.88 29.1 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.647 1.112 . . . . 0.0 113.763 168.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -137.29 130.49 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.641 1.976 . . . . 0.0 108.402 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -141.18 127.59 19.92 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.584 0.629 . . . . 0.0 111.717 -170.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.29 29.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.987 0.915 . . . . 0.0 111.644 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -134.18 -175.45 3.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.045 2.138 . . . . 0.0 110.304 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.42 77.0 0.19 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 113.73 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.35 14.94 24.64 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.671 1.605 . . . . 0.0 115.541 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.06 166.31 33.67 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.616 . . . . 0.0 113.557 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -122.29 136.95 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 125.643 1.577 . . . . 0.0 111.179 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -107.56 150.27 27.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.162 2.185 . . . . 0.0 111.248 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.45 133.09 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.496 1.918 . . . . 0.0 109.745 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -135.5 138.39 43.07 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.002 0.819 . . . . 0.0 112.87 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.5 p -98.86 170.47 8.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.43 -25.95 27.95 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.512 2.325 . . . . 0.0 113.934 169.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -104.06 17.26 24.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.384 1.474 . . . . 0.0 112.948 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 59.96 22.93 12.02 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.923 2.089 . . . . 0.0 114.846 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -74.16 136.41 42.86 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.63 166.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -115.95 139.38 50.3 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.985 0.914 . . . . 0.0 111.468 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -131.4 148.04 52.62 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.344 1.858 . . . . 0.0 109.666 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.95 143.85 32.14 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -138.89 113.93 8.46 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.226 1.411 . . . . 0.0 110.796 -171.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.95 149.15 41.54 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.869 2.379 . . . . 0.0 112.172 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.59 12.18 84.75 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.941 1.257 . . . . 0.0 115.416 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 60.7 mt -107.5 164.0 12.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.971 1.308 . . . . 0.0 112.97 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.74 163.29 33.0 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.693 2.397 . . . . 0.0 110.412 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.91 125.33 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.066 -1.021 . . . . 0.0 109.427 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.37 -65.03 0.9 Allowed Glycine 0 N--CA 1.47 0.932 0 C-N-CA 124.459 1.028 . . . . 0.0 113.616 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -143.13 150.59 39.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.396 1.079 . . . . 0.0 112.188 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.45 110.84 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.027 1.731 . . . . 0.0 109.559 -168.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.75 100.23 9.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.622 1.169 . . . . 0.0 110.374 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.94 -35.35 79.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.624 -0.672 . . . . 0.0 110.432 169.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -58.83 -28.29 65.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.408 1.883 . . . . 0.0 114.302 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.7 m -121.17 -12.15 8.73 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.48 43.61 44.34 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.664 1.126 . . . . 0.0 113.647 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.44 137.27 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 118.59 1.195 . . . . 0.0 112.335 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.26 111.46 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.161 1.785 . . . . 0.0 108.568 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 t -99.34 127.12 45.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.823 1.249 . . . . 0.0 111.708 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.29 150.36 23.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.596 1.558 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.93 158.07 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.741 1.617 . . . . 0.0 111.806 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 123.446 0.698 . . . . 0.0 111.941 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 CA--C 1.549 0.912 0 CA-C-O 121.087 0.47 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -147.71 160.81 42.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.929 1.692 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.9 168.35 18.02 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -106.82 117.4 33.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.099 1.759 . . . . 0.0 110.745 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.98 141.36 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.988 0.515 . . . . 0.0 109.96 168.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -140.76 139.87 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.871 1.269 . . . . 0.0 112.553 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.543 0.697 0 C-N-CA 127.517 2.327 . . . . 0.0 110.953 -179.466 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -142.05 152.88 43.77 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.079 0.952 . . . . 0.0 113.039 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -132.54 120.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.074 1.75 . . . . 0.0 108.333 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.94 175.53 41.76 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.632 1.111 . . . . 0.0 114.165 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.03 30.94 19.06 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.046 1.738 . . . . 0.0 114.162 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -76.14 125.33 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.462 1.105 . . . . 0.0 110.973 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -99.0 -20.41 16.76 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -152.74 153.14 32.61 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.669 1.122 . . . . 0.0 113.83 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.55 151.24 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.214 1.406 . . . . 0.0 111.199 168.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mtm105 -138.24 126.92 23.6 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.034 1.734 . . . . 0.0 110.488 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.4 106.62 18.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.46 1.104 . . . . 0.0 108.914 166.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -107.77 -170.04 1.62 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.348 1.859 . . . . 0.0 112.115 -169.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.33 75.6 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.732 1.634 . . . . 0.0 114.092 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.43 12.53 51.02 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.857 1.694 . . . . 0.0 115.469 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.05 153.27 25.71 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.056 1.428 . . . . 0.0 112.412 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.15 140.1 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.616 0.766 . . . . 0.0 110.554 164.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -122.22 149.26 43.92 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.352 1.461 . . . . 0.0 111.871 171.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.1 t -142.08 131.08 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.399 1.88 . . . . 0.0 109.265 -166.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.8 m -131.74 132.75 44.11 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.751 1.16 . . . . 0.0 112.711 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 p -84.48 172.18 11.91 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.26 -24.91 3.2 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.423 2.289 . . . . 0.0 114.04 165.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.57 16.94 25.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 112.786 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 61.11 18.81 9.39 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 115.25 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.64 119.02 21.31 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.024 -1.048 . . . . 0.0 109.997 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.33 140.34 31.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.8 0.84 . . . . 0.0 112.799 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -125.58 151.23 46.7 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.799 2.04 . . . . 0.0 109.907 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.46 140.73 39.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.959 0.904 . . . . 0.0 112.844 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -139.02 105.03 7.32 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 125.211 1.405 . . . . 0.0 111.066 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.2 149.39 57.69 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.129 2.553 . . . . 0.0 112.593 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.57 10.29 85.84 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.745 1.164 . . . . 0.0 115.519 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -105.31 163.06 12.9 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.933 1.366 . . . . 0.0 112.197 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.05 161.5 35.9 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.186 2.194 . . . . 0.0 110.003 165.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -76.68 118.66 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.94 -42.46 5.34 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.958 1.266 . . . . 0.0 113.358 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -143.16 155.21 44.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.983 . . . . 0.0 112.855 173.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.57 115.34 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.122 1.769 . . . . 0.0 107.089 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -131.11 97.45 4.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.476 1.111 . . . . 0.0 110.364 -169.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.16 -24.66 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.422 1.489 . . . . 0.0 112.066 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.07 -46.03 89.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.549 1.539 . . . . 0.0 110.567 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -77.44 -32.92 54.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.146 0.978 . . . . 0.0 112.804 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.67 29.04 40.6 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.307 1.432 . . . . 0.0 113.067 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.02 144.38 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.337 1.455 . . . . 0.0 111.922 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.06 110.47 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.905 1.682 . . . . 0.0 109.032 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -86.78 120.17 27.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.921 1.289 . . . . 0.0 110.493 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -93.81 153.2 18.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.425 0.69 . . . . 0.0 112.34 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.25 159.11 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.296 1.839 . . . . 0.0 111.2 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 124.393 1.077 . . . . 0.0 111.942 -178.63 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 ppp? . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.18 165.19 25.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.94 1.296 . . . . 0.0 114.143 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -124.21 126.73 46.61 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.202 1.801 . . . . 0.0 109.672 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t -95.81 142.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.029 1.332 . . . . 0.0 110.096 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.76 138.0 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.679 1.592 . . . . 0.0 110.878 167.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.468 0.46 0 C-N-CA 125.47 1.508 . . . . 0.0 111.439 177.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.435 0.16 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -137.33 145.19 43.09 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.924 1.29 . . . . 0.0 111.796 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -139.3 119.65 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.319 1.448 . . . . 0.0 109.582 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.06 -179.91 41.27 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.567 1.08 . . . . 0.0 113.562 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 59.57 28.57 18.01 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.7 t -81.26 135.12 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 111.174 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.3 mt -99.37 -34.9 10.11 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -150.82 158.48 44.2 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.6 t -132.7 139.92 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.976 2.111 . . . . 0.0 108.847 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -131.27 135.66 47.51 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.109 1.364 . . . . 0.0 111.855 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.44 145.79 24.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.826 1.25 . . . . 0.0 111.85 170.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -128.1 173.08 10.39 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.491 1.917 . . . . 0.0 110.288 168.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.58 40.02 0.5 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.209 1.862 . . . . 0.0 115.476 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.9 8.53 0.06 OUTLIER Glycine 0 CA--C 1.54 1.615 0 C-N-CA 126.111 1.815 . . . . 0.0 115.456 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.05 164.11 33.41 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.985 1.893 . . . . 0.0 113.136 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -119.94 145.9 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.773 1.229 . . . . 0.0 110.994 163.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -124.96 143.88 50.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.699 1.999 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.87 132.92 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.272 1.829 . . . . 0.0 110.006 -171.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 93.4 m -127.93 127.16 42.83 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.196 0.998 . . . . 0.0 112.24 -174.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -91.44 165.79 13.21 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.748 1.219 . . . . 0.0 113.906 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.39 -17.11 64.59 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -84.37 4.81 29.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.002 1.321 . . . . 0.0 113.2 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 60.14 27.28 16.73 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.574 1.95 . . . . 0.0 114.081 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -82.85 153.52 25.11 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.915 -1.115 . . . . 0.0 110.688 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -129.25 141.03 51.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.127 0.971 . . . . 0.0 112.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -128.14 149.06 50.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.318 1.847 . . . . 0.0 109.728 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.61 141.6 31.98 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.153 0.981 . . . . 0.0 113.035 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -140.66 100.27 6.76 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.541 . . . . 0.0 111.272 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.08 149.01 92.07 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.747 2.965 . . . . 0.0 113.374 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 3.91 90.55 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.688 1.613 . . . . 0.0 115.45 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.91 165.14 11.35 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.705 1.252 . . . . 0.0 113.627 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.63 157.38 45.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.327 2.251 . . . . 0.0 110.257 165.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 67.6 mt -71.48 114.69 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 -49.5 2.07 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.418 1.008 . . . . 0.0 113.71 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -148.92 150.49 33.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.659 1.184 . . . . 0.0 111.859 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -131.0 132.15 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.488 1.115 . . . . 0.0 110.329 166.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -108.78 99.86 9.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 108.871 163.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.89 -23.04 67.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.086 0.955 . . . . 0.0 112.654 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -55.22 -28.9 56.37 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.716 1.607 . . . . 0.0 113.462 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 t -133.62 10.07 3.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.625 1.97 . . . . 0.0 112.687 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.43 26.65 68.34 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 120.563 -1.336 . . . . 0.0 114.515 -177.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.8 t -81.69 118.72 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.534 1.667 . . . . 0.0 110.075 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -106.54 122.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.629 1.571 . . . . 0.0 109.095 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.5 t -106.47 122.97 47.36 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -95.73 147.49 23.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 111.45 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -130.08 159.37 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.108 1.763 . . . . 0.0 110.863 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.363 179.044 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 121.31 0.576 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -153.5 168.46 26.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.157 1.383 . . . . 0.0 111.676 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 173.43 11.54 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.252 1.421 . . . . 0.0 112.459 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.55 137.34 41.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.593 1.157 . . . . 0.0 110.87 162.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.74 140.46 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.278 1.031 . . . . 0.0 109.932 169.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -135.79 140.87 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.821 1.248 . . . . 0.0 110.809 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.468 0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 112.333 -174.25 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 121.018 0.437 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -140.21 134.8 31.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.792 1.637 . . . . 0.0 109.961 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.32 123.05 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.205 1.402 . . . . 0.0 109.57 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.17 169.18 34.53 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.169 0.89 . . . . 0.0 113.994 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 57.33 32.68 22.15 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.839 1.656 . . . . 0.0 114.775 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.62 125.35 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.918 1.687 . . . . 0.0 111.225 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.97 -27.29 17.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.317 1.047 . . . . 0.0 113.269 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -158.57 146.91 18.47 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.03 141.08 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.465 1.906 . . . . 0.0 110.779 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -138.89 127.33 23.0 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.636 1.174 . . . . 0.0 112.553 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.53 121.51 38.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.866 1.266 . . . . 0.0 110.593 173.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -106.15 12.39 30.26 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -165.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.33 29.78 63.63 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.273 0.939 . . . . 0.0 113.431 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.73 -19.34 0.05 OUTLIER Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.796 1.665 . . . . 0.0 113.883 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.31 41.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.18 1.792 . . . . 0.0 110.645 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.68 138.71 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.427 0.691 . . . . 0.0 110.894 164.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -112.11 145.53 39.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.857 2.063 . . . . 0.0 110.803 171.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -138.82 134.34 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.877 2.071 . . . . 0.0 109.205 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.4 m -133.96 129.48 36.31 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.824 1.193 . . . . 0.0 112.765 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -84.69 169.96 13.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.51 1.524 . . . . 0.0 113.401 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.24 -11.93 46.23 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.83 4.57 32.5 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.936 1.294 . . . . 0.0 112.934 170.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 60.58 18.53 8.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.126 2.17 . . . . 0.0 114.544 -172.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -79.86 116.66 20.14 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.387 -0.821 . . . . 0.0 110.643 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -86.6 141.06 29.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.493 0.717 . . . . 0.0 112.302 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -126.46 150.27 48.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.154 2.182 . . . . 0.0 109.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.52 142.34 29.11 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.36 0.664 . . . . 0.0 112.677 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -140.88 111.93 6.8 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.067 1.347 . . . . 0.0 111.093 -169.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -75.16 149.06 35.52 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.554 2.836 . . . . 0.0 112.93 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.18 8.74 87.37 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.994 1.283 . . . . 0.0 115.221 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -103.67 163.92 12.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.805 1.242 . . . . 0.0 113.17 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.71 161.45 37.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.234 2.213 . . . . 0.0 109.805 166.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.24 116.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.8 -41.87 4.28 Favored Glycine 0 N--CA 1.471 1.002 0 C-N-CA 124.606 1.098 . . . . 0.0 113.96 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -149.94 144.35 25.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.619 1.167 . . . . 0.0 111.522 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -128.17 121.57 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.015 1.726 . . . . 0.0 108.488 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -117.69 103.58 10.16 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.305 1.442 . . . . 0.0 109.557 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.43 -22.81 40.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.559 1.544 . . . . 0.0 112.438 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -54.23 7.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.334 1.054 . . . . 0.0 109.689 175.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -81.1 -17.85 48.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.77 46.01 25.61 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.68 1.133 . . . . 0.0 113.026 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.7 139.91 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.033 1.333 . . . . 0.0 111.29 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -126.57 128.16 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.974 1.71 . . . . 0.0 108.781 175.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.8 m -116.71 124.62 50.12 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.603 1.161 . . . . 0.0 110.68 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.04 150.32 21.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.968 0.907 . . . . 0.0 111.821 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.54 161.57 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.098 1.759 . . . . 0.0 111.209 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 . . . . . 0 N--CA 1.476 0.852 0 C-N-CA 123.638 0.775 . . . . 0.0 111.074 179.131 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.26 -179.31 3.74 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.272 . . . . 0.0 113.031 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -115.37 142.96 45.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.042 1.337 . . . . 0.0 111.186 159.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -101.22 145.15 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.467 1.507 . . . . 0.0 109.97 171.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.87 142.92 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.329 1.452 . . . . 0.0 111.468 170.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 CA--C 1.537 0.469 0 C-N-CA 125.682 1.593 . . . . 0.0 111.889 179.437 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -122.0 150.02 42.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.276 1.43 . . . . 0.0 111.327 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.7 mt -131.46 124.69 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.767 1.627 . . . . 0.0 108.314 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.78 170.1 27.65 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.709 1.147 . . . . 0.0 114.276 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 54.54 39.54 31.21 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.043 1.737 . . . . 0.0 114.053 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.4 119.91 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.581 1.552 . . . . 0.0 111.69 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.07 -34.1 26.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.826 1.251 . . . . 0.0 112.716 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -156.36 155.02 31.47 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -128.56 134.59 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 126.8 2.04 . . . . 0.0 108.862 174.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtm105 -134.78 122.72 22.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.537 1.535 . . . . 0.0 111.061 -168.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.67 32.9 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.182 0.993 . . . . 0.0 111.313 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -103.98 13.96 31.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 112.527 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.93 -32.55 1.96 Allowed Glycine 0 CA--C 1.54 1.654 0 C-N-CA 126.069 1.795 . . . . 0.0 115.017 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.26 6.07 11.96 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 126.38 1.943 . . . . 0.0 114.484 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.29 165.62 33.05 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.082 1.753 . . . . 0.0 111.746 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.0 t -127.17 144.32 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 124.575 1.15 . . . . 0.0 111.553 170.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -130.15 148.24 51.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.093 2.157 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.48 132.01 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.295 1.438 . . . . 0.0 110.271 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -115.44 127.57 55.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.466 1.107 . . . . 0.0 111.941 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -89.85 167.33 12.93 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.26 -28.98 30.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.954 2.102 . . . . 0.0 113.525 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.05 18.65 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.266 1.426 . . . . 0.0 113.781 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 62.28 13.9 6.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.772 2.029 . . . . 0.0 115.532 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -72.9 132.91 44.09 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -104.65 139.59 39.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.337 1.055 . . . . 0.0 111.828 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -117.37 150.86 38.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.751 1.621 . . . . 0.0 109.917 168.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.28 140.91 28.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.041 0.936 . . . . 0.0 112.484 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -142.89 100.6 5.44 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.928 1.291 . . . . 0.0 111.066 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.47 146.27 67.64 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.338 2.026 . . . . 0.0 111.469 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.91 10.84 85.2 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.741 1.162 . . . . 0.0 115.099 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -106.26 165.39 11.28 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.978 1.389 . . . . 0.0 112.673 172.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.03 159.5 42.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.203 2.201 . . . . 0.0 110.802 167.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 59.9 mt -77.08 119.13 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.971 0.908 . . . . 0.0 109.134 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.36 -43.27 2.21 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.388 0.994 . . . . 0.0 115.208 -174.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -142.19 145.61 34.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.003 1.321 . . . . 0.0 111.583 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.24 106.54 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.74 2.016 . . . . 0.0 109.07 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -100.84 77.73 1.89 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.588 1.555 . . . . 0.0 109.895 174.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -31.86 67.53 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.251 1.02 . . . . 0.0 111.741 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.9 -43.08 65.92 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.993 1.717 . . . . 0.0 112.59 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 -23.65 15.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.588 1.555 . . . . 0.0 113.323 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.12 43.12 14.18 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.625 1.107 . . . . 0.0 112.873 -170.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.48 136.76 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.601 1.16 . . . . 0.0 111.08 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -130.63 133.75 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.842 1.657 . . . . 0.0 109.346 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -120.78 127.38 51.9 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.495 1.118 . . . . 0.0 111.937 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.92 153.39 18.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.387 1.075 . . . . 0.0 112.396 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.78 160.18 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.136 1.774 . . . . 0.0 111.418 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 124.219 1.008 . . . . 0.0 111.833 179.603 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 120.881 0.372 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -153.89 138.43 16.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.329 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 175.55 6.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.854 1.262 . . . . 0.0 112.5 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -110.63 146.13 36.7 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.001 0.92 . . . . 0.0 111.264 153.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.43 141.66 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.141 1.376 . . . . 0.0 110.434 174.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -131.46 137.22 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.512 1.125 . . . . 0.0 112.002 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 126.002 1.721 . . . . 0.0 111.666 -175.736 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 121.237 0.541 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -139.42 131.51 28.0 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.434 1.493 . . . . 0.0 110.068 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.96 120.46 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.969 1.307 . . . . 0.0 109.174 -172.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.73 170.27 32.04 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.25 0.929 . . . . 0.0 114.259 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 55.09 37.05 28.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.476 1.91 . . . . 0.0 114.409 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.61 122.48 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.34 -38.01 19.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.482 0.713 . . . . 0.0 112.426 172.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -147.78 154.14 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -138.88 139.28 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 126.507 1.923 . . . . 0.0 108.956 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -137.57 140.52 41.06 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.857 1.263 . . . . 0.0 110.879 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.64 122.31 41.69 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.99 0.916 . . . . 0.0 109.898 163.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -97.47 13.86 28.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.664 1.586 . . . . 0.0 113.661 -170.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.23 39.28 37.15 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.977 1.275 . . . . 0.0 113.772 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.29 -21.31 0.12 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.784 1.659 . . . . 0.0 114.022 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.61 157.6 35.57 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.213 2.205 . . . . 0.0 109.856 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -96.88 156.93 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 166.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -132.46 134.98 45.74 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.566 1.946 . . . . 0.0 109.851 170.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -128.74 132.23 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 127.47 2.308 . . . . 0.0 109.638 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.7 m -128.37 129.44 46.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.823 0.849 . . . . 0.0 112.522 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.9 p -87.88 169.83 11.69 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.389 1.476 . . . . 0.0 114.17 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.0 tp -52.56 -29.0 23.25 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.496 2.318 . . . . 0.0 114.221 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.39 17.6 23.72 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 113.268 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 61.2 13.93 5.16 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.919 2.088 . . . . 0.0 115.491 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.73 145.51 48.75 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.699 -1.251 . . . . 0.0 110.51 165.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -125.78 144.44 50.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.881 1.272 . . . . 0.0 112.583 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -131.31 149.42 52.57 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.019 1.728 . . . . 0.0 110.198 172.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.46 144.58 26.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.979 0.912 . . . . 0.0 112.534 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.71 113.48 4.66 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.494 -169.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -62.99 149.27 92.09 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.663 2.909 . . . . 0.0 113.645 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.44 19.24 79.64 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.504 0.962 . . . . 0.0 115.504 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.67 159.71 20.19 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.024 1.33 . . . . 0.0 112.788 174.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.7 160.13 40.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.686 1.994 . . . . 0.0 110.543 170.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -76.7 117.15 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.593 -0.692 . . . . 0.0 109.399 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.47 -42.38 3.96 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.35 0.976 . . . . 0.0 113.912 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -146.21 153.8 41.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.051 1.34 . . . . 0.0 112.096 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.1 136.0 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.638 1.575 . . . . 0.0 109.787 167.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -136.1 108.41 7.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.325 1.85 . . . . 0.0 108.696 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.89 -26.83 43.87 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.791 1.636 . . . . 0.0 111.926 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -65.09 -48.75 72.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.3 1.84 . . . . 0.0 111.085 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -89.7 -19.01 25.33 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.22 15.3 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.088 1.327 . . . . 0.0 113.514 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -131.25 140.7 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -122.61 127.5 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 126.347 1.859 . . . . 0.0 109.107 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.9 m -105.96 131.25 53.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.189 0.996 . . . . 0.0 110.812 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -99.98 154.42 18.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.678 0.791 . . . . 0.0 112.364 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 pp -134.96 159.63 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.037 1.735 . . . . 0.0 111.311 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 123.886 0.875 . . . . 0.0 112.219 -177.745 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.4 0.143 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.07 -178.74 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.376 1.471 . . . . 0.0 111.769 -173.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -118.14 147.12 43.63 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.105 0.962 . . . . 0.0 112.458 163.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.7 t -93.39 145.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.694 1.198 . . . . 0.0 110.193 171.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.7 136.49 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.102 1.361 . . . . 0.0 112.158 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.549 0.919 0 C-N-CA 126.574 1.949 . . . . 0.0 110.905 177.324 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.24 143.29 46.25 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.407 1.083 . . . . 0.0 111.18 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.49 115.86 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.961 1.305 . . . . 0.0 108.446 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.9 170.37 37.89 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.834 1.207 . . . . 0.0 114.612 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 57.85 33.07 22.79 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 114.478 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -77.46 128.1 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.184 1.794 . . . . 0.0 110.906 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 42.7 mt -91.15 -30.95 16.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.892 0.877 . . . . 0.0 113.194 172.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -156.31 152.76 28.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.49 139.11 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.828 2.051 . . . . 0.0 109.278 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -136.22 135.05 38.75 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.892 1.277 . . . . 0.0 110.947 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.64 114.7 26.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.376 1.47 . . . . 0.0 110.387 171.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -76.39 179.74 5.65 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.927 1.291 . . . . 0.0 110.396 164.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -11.43 48.81 Favored Glycine 0 CA--C 1.544 1.851 0 O-C-N 120.289 -1.507 . . . . 0.0 115.884 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.12 22.14 0.26 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.799 1.19 . . . . 0.0 115.276 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.48 30.33 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.128 1.464 . . . . 0.0 111.852 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -107.06 143.82 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.344 1.057 . . . . 0.0 111.066 166.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -123.31 140.92 52.53 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.651 1.98 . . . . 0.0 110.172 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 67.7 t -133.1 131.54 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.941 2.096 . . . . 0.0 109.453 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -129.7 129.4 44.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.795 0.838 . . . . 0.0 112.643 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 p -96.36 167.91 10.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.425 1.49 . . . . 0.0 112.531 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -66.85 -10.45 48.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.67 2.23 30.55 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.149 1.379 . . . . 0.0 113.231 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t0 60.79 22.46 12.46 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.067 2.147 . . . . 0.0 113.848 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -82.64 137.64 34.42 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.273 1.029 . . . . 0.0 110.504 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -109.12 137.85 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.611 1.164 . . . . 0.0 111.563 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -119.16 147.86 43.73 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.382 1.873 . . . . 0.0 109.714 167.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.0 144.86 31.86 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.44 108.29 6.67 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.898 1.279 . . . . 0.0 111.141 -170.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.22 148.78 56.47 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.933 2.422 . . . . 0.0 112.213 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.81 89.76 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.222 1.392 . . . . 0.0 114.985 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 mt -106.59 164.23 12.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.803 1.241 . . . . 0.0 112.95 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.16 166.04 25.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.32 2.248 . . . . 0.0 110.146 165.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mt -74.31 123.99 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.463 -0.773 . . . . 0.0 109.268 174.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.22 -38.17 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.108 0.861 . . . . 0.0 113.983 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -144.65 152.7 40.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.753 1.221 . . . . 0.0 112.698 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -133.36 133.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.579 1.952 . . . . 0.0 108.444 169.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -141.28 106.97 5.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.029 175.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.73 -14.96 50.35 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.588 1.155 . . . . 0.0 113.644 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -76.13 -40.47 52.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.0 0.92 . . . . 0.0 111.048 170.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -77.77 -34.07 52.49 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.76 171.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.92 36.84 20.93 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.502 1.525 . . . . 0.0 112.952 -173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.85 142.28 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.24 1.416 . . . . 0.0 112.262 -168.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.1 mt -125.11 117.38 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.064 1.746 . . . . 0.0 108.806 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.9 m -96.48 130.73 43.57 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.363 1.065 . . . . 0.0 111.32 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.22 155.63 16.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.746 0.818 . . . . 0.0 112.013 173.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.9 164.58 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.835 2.054 . . . . 0.0 111.369 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 124.543 1.137 . . . . 0.0 110.94 177.828 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.2 ptm -149.11 155.67 41.05 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.775 -1.203 . . . . 0.0 111.377 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.54 -179.39 6.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.683 1.193 . . . . 0.0 112.519 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -121.94 143.6 49.36 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.033 1.333 . . . . 0.0 111.473 166.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.0 t -96.72 144.78 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.772 1.229 . . . . 0.0 110.833 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.18 129.54 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.099 2.16 . . . . 0.0 109.909 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 124.826 1.251 . . . . 0.0 111.765 175.798 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -139.62 147.02 40.49 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 111.919 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -128.18 122.84 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.293 1.437 . . . . 0.0 108.701 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.58 167.48 33.81 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.542 1.068 . . . . 0.0 113.764 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 55.17 37.43 28.89 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.415 1.486 . . . . 0.0 114.397 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -74.87 130.39 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.873 1.669 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.9 mt -103.09 -24.8 13.59 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.755 1.222 . . . . 0.0 113.92 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.19 149.64 24.67 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.136 0.88 . . . . 0.0 113.234 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.08 142.71 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.912 2.085 . . . . 0.0 109.292 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -140.14 148.56 41.83 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 111.008 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.83 118.49 28.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.203 1.001 . . . . 0.0 111.289 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -88.21 171.44 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.895 1.678 . . . . 0.0 110.878 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.26 42.58 0.81 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.098 1.332 . . . . 0.0 114.838 174.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.17 -9.51 0.06 OUTLIER Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.104 1.335 . . . . 0.0 116.102 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.64 150.95 19.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.044 1.922 . . . . 0.0 112.921 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -97.15 145.83 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.876 0.87 . . . . 0.0 110.571 166.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -126.8 147.54 50.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.357 1.863 . . . . 0.0 111.006 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.05 133.15 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.853 1.661 . . . . 0.0 109.445 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.2 m -131.69 131.63 43.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 0.0 112.576 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -90.93 169.4 10.93 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.988 1.315 . . . . 0.0 113.924 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.51 -22.63 13.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.539 2.336 . . . . 0.0 113.48 168.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -106.37 18.17 22.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.222 1.409 . . . . 0.0 113.086 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 61.58 18.34 9.41 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.026 2.13 . . . . 0.0 115.009 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.11 132.73 41.45 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.974 -1.079 . . . . 0.0 109.732 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -113.46 141.97 46.47 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.936 0.894 . . . . 0.0 112.179 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -131.39 148.82 52.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.157 1.783 . . . . 0.0 110.143 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.7 142.26 36.9 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.028 0.931 . . . . 0.0 113.0 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.98 98.91 6.75 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.702 1.601 . . . . 0.0 112.169 -170.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.46 149.95 87.32 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.701 2.934 . . . . 0.0 114.435 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 6.87 86.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.827 1.203 . . . . 0.0 115.948 171.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 mt -103.6 166.92 10.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.084 1.354 . . . . 0.0 112.183 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.75 161.85 36.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.095 1.758 . . . . 0.0 110.389 160.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.35 110.8 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.74 -49.65 4.49 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.767 1.175 . . . . 0.0 113.168 -173.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -148.55 138.0 21.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.674 1.189 . . . . 0.0 111.692 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.11 136.71 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.42 1.488 . . . . 0.0 109.711 164.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -136.43 110.15 8.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.999 1.72 . . . . 0.0 109.466 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.99 -10.82 52.23 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.63 1.172 . . . . 0.0 113.513 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -44.7 31.44 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 167.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -76.12 -28.83 57.62 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.408 1.083 . . . . 0.0 113.203 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 37.44 49.56 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.447 1.022 . . . . 0.0 112.917 -172.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.79 140.19 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.963 1.305 . . . . 0.0 111.938 -170.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.58 106.06 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.858 1.663 . . . . 0.0 109.634 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 t -90.24 125.09 35.37 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 111.258 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -94.12 150.22 20.52 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.849 1.26 . . . . 0.0 111.011 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.89 156.42 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.472 1.509 . . . . 0.0 110.841 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 124.445 1.098 . . . . 0.0 110.571 -179.492 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.2 -178.59 4.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.735 1.214 . . . . 0.0 112.528 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -119.68 134.09 55.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.366 1.066 . . . . 0.0 111.61 165.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.09 138.83 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.919 1.288 . . . . 0.0 110.174 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.47 142.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.369 1.068 . . . . 0.0 112.342 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 127.13 2.172 . . . . 0.0 110.627 -179.506 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -140.68 140.25 34.92 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.739 -173.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.13 120.07 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.827 1.651 . . . . 0.0 109.081 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.74 170.39 40.06 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.897 0.761 . . . . 0.0 114.113 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 58.12 31.99 21.43 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.868 1.667 . . . . 0.0 114.193 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.98 124.67 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 111.663 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -95.3 -38.94 10.3 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.391 1.476 . . . . 0.0 111.643 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -148.23 154.66 40.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.296 1.038 . . . . 0.0 112.914 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -139.62 136.48 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.063 1.345 . . . . 0.0 109.177 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -118.78 146.34 44.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.025 1.73 . . . . 0.0 111.6 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.86 114.77 28.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.509 1.124 . . . . 0.0 109.714 161.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -82.48 -177.35 6.65 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 0.0 110.977 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -10.07 36.14 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.51 20.14 0.17 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 118.559 1.179 . . . . 0.0 115.67 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.39 155.71 27.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.115 1.457 . . . . 0.0 112.226 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -99.41 142.45 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.284 1.033 . . . . 0.0 110.511 165.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -125.57 137.12 53.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.245 1.818 . . . . 0.0 110.917 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.3 132.89 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.457 1.903 . . . . 0.0 109.458 -172.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -134.08 129.21 35.66 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.477 0.711 . . . . 0.0 112.184 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.0 p -81.32 164.55 22.1 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.949 1.299 . . . . 0.0 112.872 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -67.02 -14.86 63.31 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -83.96 3.93 32.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.544 1.537 . . . . 0.0 113.755 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t0 62.12 28.72 17.3 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.495 1.918 . . . . 0.0 114.667 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -85.3 141.5 30.02 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.27 -0.894 . . . . 0.0 110.332 166.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -123.21 142.32 51.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.777 1.231 . . . . 0.0 113.183 -173.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -133.09 149.76 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.352 1.861 . . . . 0.0 110.09 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.34 145.38 33.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.739 0.815 . . . . 0.0 113.134 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -142.61 105.76 5.43 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.347 1.459 . . . . 0.0 111.578 -170.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.7 148.63 59.41 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.275 2.65 . . . . 0.0 112.695 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 -4.71 56.19 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.34 1.448 . . . . 0.0 115.574 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.2 mt -88.19 164.83 15.46 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.903 1.351 . . . . 0.0 112.418 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 158.99 43.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.408 2.283 . . . . 0.0 109.925 164.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 54.4 mt -73.05 113.69 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.52 -37.93 6.82 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.532 1.063 . . . . 0.0 113.775 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -145.02 148.63 33.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.426 1.49 . . . . 0.0 112.287 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.98 105.25 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 127.035 2.134 . . . . 0.0 107.436 168.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -108.6 88.29 2.69 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.507 1.523 . . . . 0.0 110.797 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.36 -34.16 77.12 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.622 0.769 . . . . 0.0 111.081 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.31 -36.78 66.57 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.181 1.792 . . . . 0.0 113.563 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 27.9 m -101.91 -18.61 15.62 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.94 33.52 62.67 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.079 0.847 . . . . 0.0 113.18 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -131.08 141.99 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.04 1.336 . . . . 0.0 111.577 -171.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.5 mt -124.35 135.47 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.68 1.592 . . . . 0.0 108.396 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -125.6 128.9 48.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.054 0.942 . . . . 0.0 111.11 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.74 153.51 18.67 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.864 0.866 . . . . 0.0 112.594 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -137.09 161.87 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.558 1.943 . . . . 0.0 110.542 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 . . . . . 0 N--CA 1.475 0.8 0 O-C-N 121.598 -0.689 . . . . 0.0 110.245 175.508 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.2 m . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.6 mtp -136.58 149.21 47.94 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.724 1.61 . . . . 0.0 110.801 171.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.77 173.54 13.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.772 1.229 . . . . 0.0 111.517 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -111.71 144.9 40.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.149 0.98 . . . . 0.0 111.742 163.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.64 142.74 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.329 1.052 . . . . 0.0 109.284 165.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.42 139.46 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.881 1.273 . . . . 0.0 110.842 170.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.652 0 C-N-CA 125.671 1.588 . . . . 0.0 111.564 -174.82 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -140.54 149.74 42.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.166 0.986 . . . . 0.0 112.478 172.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.94 120.38 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.793 1.637 . . . . 0.0 108.376 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 173.04 40.96 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.68 1.133 . . . . 0.0 113.969 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 57.99 34.03 23.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.592 1.557 . . . . 0.0 113.964 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -76.14 131.96 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.291 1.437 . . . . 0.0 110.655 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.1 mt -101.19 -21.12 15.01 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.209 1.004 . . . . 0.0 113.423 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -160.84 151.81 18.7 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.65 1.113 . . . . 0.0 113.619 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.22 133.26 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.542 1.937 . . . . 0.0 109.403 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -131.71 123.94 28.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 110.935 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.45 137.58 32.23 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.614 0.721 . . . . 0.0 111.37 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -112.95 11.45 19.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.481 1.913 . . . . 0.0 112.09 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.25 -60.54 2.3 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 126.656 2.074 . . . . 0.0 112.83 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -6.29 79.28 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.802 1.192 . . . . 0.0 114.527 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.09 166.19 26.14 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.902 1.681 . . . . 0.0 112.345 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.0 t -121.76 142.91 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.056 1.342 . . . . 0.0 110.851 162.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -120.86 147.46 45.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.888 2.075 . . . . 0.0 110.884 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -139.65 135.4 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.241 1.817 . . . . 0.0 109.369 -170.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.3 m -131.86 132.75 43.94 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.882 0.764 . . . . 0.0 112.238 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -91.18 167.17 12.53 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.93 -27.73 45.6 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.108 2.163 . . . . 0.0 113.359 168.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.77 19.63 16.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.54 1.536 . . . . 0.0 113.547 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.4 t0 61.64 25.0 15.0 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.922 2.089 . . . . 0.0 115.373 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -83.81 129.0 34.94 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.853 -1.154 . . . . 0.0 110.192 167.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -104.04 139.82 38.61 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.091 0.956 . . . . 0.0 111.281 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -129.47 148.26 51.36 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.075 1.75 . . . . 0.0 109.748 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.36 140.87 32.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.709 0.804 . . . . 0.0 111.763 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -139.18 112.31 8.0 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.039 1.336 . . . . 0.0 110.763 -171.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -73.22 149.5 45.85 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.949 2.433 . . . . 0.0 112.499 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.21 86.2 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.03 1.3 . . . . 0.0 115.057 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -105.72 163.12 12.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.666 1.233 . . . . 0.0 113.165 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.6 162.05 36.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.219 2.208 . . . . 0.0 110.328 167.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mt -78.65 122.19 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 120.892 -1.13 . . . . 0.0 110.05 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -110.54 -29.07 3.77 Favored Glycine 0 N--CA 1.477 1.393 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.57 144.67 31.42 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.754 1.222 . . . . 0.0 111.603 179.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.9 t -140.86 131.8 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.602 1.561 . . . . 0.0 108.909 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -147.76 105.04 3.65 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.743 1.217 . . . . 0.0 110.475 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.35 -26.81 38.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.446 1.498 . . . . 0.0 112.179 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -63.37 -47.13 83.36 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.518 1.527 . . . . 0.0 110.708 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 m -87.41 -20.19 27.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 174.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.56 43.69 18.42 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.282 0.944 . . . . 0.0 113.861 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.8 t -134.78 139.86 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.054 1.341 . . . . 0.0 111.588 -173.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.26 126.12 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.558 1.943 . . . . 0.0 108.88 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -113.49 129.25 56.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.301 1.04 . . . . 0.0 111.567 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -97.79 152.61 18.97 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.169 0.987 . . . . 0.0 112.15 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.24 158.61 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.874 2.07 . . . . 0.0 111.059 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 N--CA 1.47 0.532 0 C-N-CA 123.499 0.719 . . . . 0.0 111.008 178.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 121.208 0.528 . . . . 0.0 111.861 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.88 176.12 8.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.099 1.76 . . . . 0.0 113.113 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -128.22 144.66 51.14 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.903 1.681 . . . . 0.0 111.056 165.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -108.74 143.08 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.395 1.478 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -127.23 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.019 1.328 . . . . 0.0 111.715 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.413 1.885 . . . . 0.0 111.746 -176.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.94 0.4 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -134.93 143.55 46.97 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.119 1.368 . . . . 0.0 111.058 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -132.62 120.79 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.214 1.406 . . . . 0.0 108.98 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.7 30.35 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.883 1.23 . . . . 0.0 114.378 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 55.79 33.96 22.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.187 1.795 . . . . 0.0 114.33 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.84 130.99 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.964 1.706 . . . . 0.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -97.12 -27.77 14.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.75 152.27 29.68 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.8 t -137.87 135.48 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.526 1.93 . . . . 0.0 109.869 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -135.07 104.7 6.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.171 1.388 . . . . 0.0 110.623 -165.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 119.43 30.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.794 0.838 . . . . 0.0 112.015 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -102.67 5.05 38.83 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.257 1.823 . . . . 0.0 113.42 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.96 -45.83 1.71 Allowed Glycine 0 CA--C 1.538 1.497 0 C-N-CA 126.583 2.04 . . . . 0.0 114.57 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.25 -17.84 78.97 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.321 0.962 . . . . 0.0 114.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.24 165.81 26.3 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.914 1.686 . . . . 0.0 112.086 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -113.66 140.56 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.471 1.108 . . . . 0.0 110.581 160.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -116.29 143.82 45.04 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.498 1.919 . . . . 0.0 110.153 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -134.41 137.93 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 109.647 -171.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.9 m -133.57 129.41 36.98 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.015 0.825 . . . . 0.0 112.626 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -85.72 167.32 15.38 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.474 1.109 . . . . 0.0 113.505 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.02 -27.66 63.74 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.941 1.697 . . . . 0.0 112.807 170.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -88.22 11.9 15.23 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.814 1.645 . . . . 0.0 113.549 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 60.84 21.64 11.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.255 2.222 . . . . 0.0 114.912 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.69 127.02 31.99 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.807 -1.183 . . . . 0.0 110.138 169.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -99.51 139.49 35.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.891 0.876 . . . . 0.0 112.301 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -125.74 149.74 48.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.177 1.791 . . . . 0.0 109.786 171.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.85 140.63 29.9 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.55 0.74 . . . . 0.0 112.63 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.29 111.42 6.5 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.745 1.218 . . . . 0.0 111.106 -170.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.53 149.49 55.83 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.099 2.533 . . . . 0.0 112.898 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.93 7.07 86.39 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.589 1.566 . . . . 0.0 115.439 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.15 165.91 11.49 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.08 1.44 . . . . 0.0 113.853 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.28 166.29 25.94 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.488 2.315 . . . . 0.0 110.239 163.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -76.61 126.75 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.431 -0.793 . . . . 0.0 109.984 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.42 -53.23 1.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.392 1.472 . . . . 0.0 113.664 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -143.75 149.84 37.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.612 1.165 . . . . 0.0 111.94 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -137.35 104.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.318 1.447 . . . . 0.0 109.164 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -97.59 105.83 18.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.357 1.063 . . . . 0.0 110.073 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.85 -26.24 62.29 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.812 -1.18 . . . . 0.0 110.715 167.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -57.9 -26.49 62.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.739 2.016 . . . . 0.0 113.809 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 97.4 p -135.75 -7.83 2.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.06 1.344 . . . . 0.0 114.573 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.94 7.94 86.61 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.26 1.41 . . . . 0.0 114.965 -174.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.27 129.38 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.045 1.922 . . . . 0.0 112.111 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.3 mt -116.22 133.64 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.338 1.855 . . . . 0.0 109.094 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 86.3 p -112.13 143.48 43.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -107.69 152.6 24.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.351 1.061 . . . . 0.0 111.557 170.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.99 158.55 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.187 1.795 . . . . 0.0 111.057 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 179.278 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.04 157.46 43.62 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.154 1.382 . . . . 0.0 110.774 171.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.69 -176.15 3.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 -171.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -126.57 141.42 51.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 111.715 165.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.3 144.2 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.181 0.992 . . . . 0.0 109.778 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -135.46 138.25 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.173 1.389 . . . . 0.0 112.386 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 126.915 2.086 . . . . 0.0 110.453 177.651 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -136.85 146.73 45.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.763 1.225 . . . . 0.0 111.811 -175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.4 mt -131.12 122.25 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.213 1.405 . . . . 0.0 108.856 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.03 166.61 29.95 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.762 1.172 . . . . 0.0 114.049 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.8 35.96 22.83 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.442 1.897 . . . . 0.0 113.859 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.03 126.25 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.168 1.387 . . . . 0.0 110.746 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -107.38 -22.33 12.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.557 1.143 . . . . 0.0 112.821 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -154.21 148.23 25.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.521 1.128 . . . . 0.0 113.454 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.72 137.78 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.224 1.81 . . . . 0.0 109.976 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -138.21 138.84 38.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.656 1.182 . . . . 0.0 112.001 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.76 120.4 35.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 110.772 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -89.81 -179.31 5.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.764 1.625 . . . . 0.0 110.516 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 79.65 0.26 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.584 1.087 . . . . 0.0 112.913 172.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.13 25.89 30.16 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.107 1.337 . . . . 0.0 114.83 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.43 160.41 43.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.673 1.589 . . . . 0.0 111.665 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.47 144.0 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 124.387 1.075 . . . . 0.0 111.061 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -121.34 141.74 50.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.231 1.812 . . . . 0.0 111.138 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.6 t -135.33 132.21 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.951 2.1 . . . . 0.0 109.776 -173.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.0 m -134.81 133.22 39.57 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.244 0.545 . . . . 0.0 111.768 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.4 p -85.9 165.39 16.82 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 113.645 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.38 -20.02 26.76 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.452 1.901 . . . . 0.0 113.419 169.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -107.6 24.04 13.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.757 1.623 . . . . 0.0 112.955 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 63.21 17.23 10.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.897 2.079 . . . . 0.0 115.895 172.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.96 133.65 36.87 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.588 -1.32 . . . . 0.0 110.312 168.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -115.15 140.8 48.77 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.434 1.093 . . . . 0.0 112.168 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -132.43 147.51 52.38 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.64 1.976 . . . . 0.0 109.879 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.06 144.68 36.97 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.592 0.757 . . . . 0.0 112.499 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -140.31 92.68 9.28 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.775 1.63 . . . . 0.0 111.266 -171.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.04 146.29 94.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.106 2.538 . . . . 0.0 112.768 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.51 4.16 90.46 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.325 1.441 . . . . 0.0 114.705 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.37 166.42 10.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.633 1.217 . . . . 0.0 112.431 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 160.76 39.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.183 2.193 . . . . 0.0 110.331 165.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -72.42 115.45 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.36 -0.838 . . . . 0.0 108.744 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.0 -45.14 3.16 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.508 1.051 . . . . 0.0 113.894 -175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -142.9 149.87 39.04 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.657 1.183 . . . . 0.0 111.635 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.26 126.0 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 126.584 1.953 . . . . 0.0 108.314 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -136.94 100.7 4.36 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.219 1.008 . . . . 0.0 110.523 -173.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.648 1.179 . . . . 0.0 112.678 -174.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -72.2 -41.3 67.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.166 1.386 . . . . 0.0 111.842 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.3 t -80.41 -30.8 37.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.479 1.112 . . . . 0.0 112.485 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 31.72 42.93 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.152 1.358 . . . . 0.0 113.041 -171.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.4 t -129.96 143.43 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.865 1.266 . . . . 0.0 111.807 -168.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -122.32 119.75 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.209 1.803 . . . . 0.0 109.022 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -97.98 129.89 44.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.128 0.971 . . . . 0.0 110.792 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.0 mt -98.59 151.52 20.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.808 0.843 . . . . 0.0 111.694 172.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.7 159.12 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.751 1.62 . . . . 0.0 111.31 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.292 1.437 . . . . 0.0 111.388 -177.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.13 -179.73 6.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.158 1.383 . . . . 0.0 112.053 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -118.37 147.37 43.6 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.426 1.09 . . . . 0.0 112.091 161.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -97.17 143.38 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.052 1.341 . . . . 0.0 110.359 170.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.74 137.76 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.483 1.513 . . . . 0.0 111.398 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 126.289 1.836 . . . . 0.0 110.985 177.76 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -134.91 144.52 47.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.757 1.223 . . . . 0.0 111.42 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -129.0 119.32 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.452 1.501 . . . . 0.0 108.07 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.64 171.31 37.77 Favored Glycine 0 N--CA 1.472 1.066 0 C-N-CA 124.361 0.981 . . . . 0.0 113.585 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 57.16 31.8 20.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.239 1.416 . . . . 0.0 114.195 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.36 127.17 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.164 1.786 . . . . 0.0 110.762 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tt -97.28 -35.3 10.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.365 1.466 . . . . 0.0 112.345 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -153.76 156.02 36.97 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -136.85 139.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.983 2.113 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -139.98 135.26 32.55 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.033 0.933 . . . . 0.0 111.963 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.81 139.74 30.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.523 1.129 . . . . 0.0 110.885 168.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -112.31 11.55 20.11 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.826 1.65 . . . . 0.0 113.526 -175.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.11 36.86 72.36 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.97 1.271 . . . . 0.0 113.117 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.95 -12.93 0.1 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.325 1.441 . . . . 0.0 114.043 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.68 162.06 41.75 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.657 1.983 . . . . 0.0 110.828 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -114.03 138.83 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.407 1.083 . . . . 0.0 110.942 167.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.71 144.02 42.93 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.14 2.176 . . . . 0.0 110.603 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 62.7 t -135.61 127.13 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.942 1.697 . . . . 0.0 109.313 -174.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.0 m -128.76 129.04 45.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.302 1.041 . . . . 0.0 111.481 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.1 p -86.21 164.06 17.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.845 1.258 . . . . 0.0 112.752 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -69.48 -10.7 59.2 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 171.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -85.94 7.21 25.15 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.611 1.564 . . . . 0.0 112.709 168.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.309 1.9 p30 58.46 13.85 2.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 129.139 2.976 . . . . 0.0 116.099 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -70.1 141.56 52.72 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.105 -0.997 . . . . 0.0 110.682 164.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -129.88 144.88 51.54 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.916 1.286 . . . . 0.0 112.077 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -132.77 150.33 52.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.742 2.017 . . . . 0.0 109.596 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.1 144.02 33.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.639 0.776 . . . . 0.0 112.678 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.01 110.07 8.47 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.223 1.409 . . . . 0.0 110.967 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -72.12 147.82 49.18 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.022 2.481 . . . . 0.0 112.111 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.85 3.48 90.49 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.842 1.21 . . . . 0.0 114.857 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -98.06 164.52 12.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.522 1.161 . . . . 0.0 113.042 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.69 159.75 41.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.416 2.286 . . . . 0.0 110.17 165.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.89 114.2 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.05 -42.68 3.47 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.252 0.93 . . . . 0.0 114.249 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -146.33 145.26 30.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.784 1.234 . . . . 0.0 112.116 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -136.07 114.18 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.59 1.556 . . . . 0.0 109.1 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.38 93.33 4.24 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.369 1.468 . . . . 0.0 109.775 -173.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.99 -34.61 73.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.623 -0.673 . . . . 0.0 112.423 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.44 -45.18 94.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.314 1.045 . . . . 0.0 112.324 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 m -81.96 -25.51 34.76 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.644 1.178 . . . . 0.0 113.635 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.57 39.8 55.36 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.388 0.994 . . . . 0.0 113.283 -171.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.13 138.43 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.471 1.108 . . . . 0.0 111.837 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.32 119.79 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.058 1.743 . . . . 0.0 108.736 174.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.7 m -102.19 127.28 49.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.294 1.037 . . . . 0.0 111.211 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 mt -97.43 151.37 20.04 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.853 0.861 . . . . 0.0 111.451 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.58 160.04 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.048 1.739 . . . . 0.0 110.986 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 . . . . . 0 N--CA 1.475 0.811 0 C-N-CA 123.823 0.849 . . . . 0.0 111.473 178.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 120.759 0.314 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 ptm -151.98 156.57 40.28 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.988 1.715 . . . . 0.0 111.197 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.94 -176.12 4.26 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 112.373 -172.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -124.47 148.36 47.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.351 1.06 . . . . 0.0 112.028 163.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.72 143.7 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.358 1.063 . . . . 0.0 110.427 171.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.63 138.27 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.479 1.511 . . . . 0.0 111.638 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 126.417 1.887 . . . . 0.0 111.219 177.235 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -133.42 143.84 49.14 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.429 1.092 . . . . 0.0 111.666 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -122.68 118.93 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.355 1.462 . . . . 0.0 108.471 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 167.54 36.3 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.566 1.079 . . . . 0.0 114.391 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.26 34.42 20.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.087 1.755 . . . . 0.0 114.498 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.75 126.02 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 110.202 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 tp -107.16 -27.33 10.64 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.647 1.179 . . . . 0.0 112.767 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -155.1 158.27 38.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.332 1.053 . . . . 0.0 112.806 167.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.38 142.4 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.481 1.913 . . . . 0.0 110.341 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -124.15 152.48 42.77 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.72 2.008 . . . . 0.0 112.156 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.61 139.58 50.35 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.124 1.37 . . . . 0.0 110.659 162.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -113.65 12.9 18.55 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.657 1.583 . . . . 0.0 112.293 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.64 -34.43 2.94 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 126.482 1.992 . . . . 0.0 115.054 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.1 -0.96 22.45 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.473 1.511 . . . . 0.0 114.664 171.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.7 168.86 26.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.754 1.622 . . . . 0.0 111.674 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m -123.28 159.39 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.028 0.931 . . . . 0.0 112.52 162.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -135.11 134.19 40.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.564 1.946 . . . . 0.0 110.234 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -122.86 130.13 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.609 1.964 . . . . 0.0 109.862 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -126.0 128.5 47.56 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.912 0.885 . . . . 0.0 111.335 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -87.39 165.67 15.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 122.171 0.986 . . . . 0.0 113.076 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.23 -20.78 44.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.77 2.028 . . . . 0.0 113.506 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.34 22.11 16.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.08 1.752 . . . . 0.0 113.214 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.82 19.79 11.73 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.999 2.12 . . . . 0.0 115.549 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.88 141.01 40.76 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.019 -1.051 . . . . 0.0 110.193 166.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -124.4 135.78 53.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.517 1.127 . . . . 0.0 111.294 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -129.15 142.89 50.74 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.817 1.647 . . . . 0.0 109.812 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.17 44.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.793 0.837 . . . . 0.0 112.525 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.85 93.25 8.44 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.41 1.084 . . . . 0.0 111.244 -173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.03 143.16 94.71 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.351 2.701 . . . . 0.0 111.894 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.1 1.58 90.04 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.44 164.09 11.94 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.37 1.085 . . . . 0.0 111.646 167.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.07 157.67 45.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.748 2.019 . . . . 0.0 111.152 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.73 107.35 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.45 -42.93 5.05 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.08 0.848 . . . . 0.0 113.763 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -146.87 149.65 33.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.52 1.528 . . . . 0.0 111.45 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -132.78 128.68 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.712 2.005 . . . . 0.0 108.425 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -129.69 110.08 11.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.787 1.235 . . . . 0.0 109.912 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.68 -24.04 45.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.244 1.418 . . . . 0.0 112.951 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -79.89 -40.97 27.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.674 1.19 . . . . 0.0 111.455 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -79.92 -26.07 40.28 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.23 43.86 30.68 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.127 0.87 . . . . 0.0 112.96 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.6 t -132.81 138.87 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.11 1.364 . . . . 0.0 111.187 -171.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.7 mt -123.41 117.08 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.861 1.665 . . . . 0.0 108.841 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.5 m -99.84 119.66 38.53 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.71 1.204 . . . . 0.0 110.669 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.66 146.73 24.91 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.66 0.784 . . . . 0.0 111.353 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.83 159.06 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.905 1.682 . . . . 0.0 111.233 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 CA--C 1.535 0.387 0 C-N-CA 124.022 0.929 . . . . 0.0 112.17 179.04 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 121.433 0.635 . . . . 0.0 111.782 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.03 174.1 7.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.198 0.999 . . . . 0.0 113.446 -168.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.47 142.68 35.74 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.534 0.734 . . . . 0.0 110.705 152.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.14 141.99 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 109.741 165.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.47 140.18 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.303 1.441 . . . . 0.0 111.675 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.621 . . . . 0.0 111.703 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -138.8 152.54 47.98 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.933 1.293 . . . . 0.0 113.231 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 39.1 mt -130.68 127.19 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.087 1.755 . . . . 0.0 108.45 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.02 171.73 27.42 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.678 1.132 . . . . 0.0 113.676 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.54 37.37 28.79 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.703 1.601 . . . . 0.0 114.461 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.41 121.94 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.701 1.6 . . . . 0.0 112.0 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -87.84 -32.4 19.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 112.994 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.85 154.06 33.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -134.74 141.99 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.795 2.038 . . . . 0.0 109.503 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -135.12 132.3 37.93 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.354 1.062 . . . . 0.0 111.084 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.05 110.33 22.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 110.043 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 172.61 8.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.616 1.566 . . . . 0.0 110.968 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.26 47.03 1.32 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.134 1.349 . . . . 0.0 114.75 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.01 -3.09 0.13 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.011 1.291 . . . . 0.0 115.886 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 160.7 25.45 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.546 1.673 . . . . 0.0 112.173 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.95 144.63 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.731 0.812 . . . . 0.0 110.751 163.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -122.93 146.96 47.14 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.433 1.893 . . . . 0.0 110.694 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.06 131.85 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.014 1.725 . . . . 0.0 109.815 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.9 m -125.99 129.65 49.63 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.983 0.913 . . . . 0.0 112.096 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.9 p -90.73 169.0 11.33 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.03 1.332 . . . . 0.0 114.217 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -56.13 -21.9 25.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.407 2.283 . . . . 0.0 114.283 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -106.9 19.18 20.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.885 1.674 . . . . 0.0 113.498 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 61.54 13.58 5.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.205 2.202 . . . . 0.0 115.675 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -76.12 142.71 41.58 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.892 -1.13 . . . . 0.0 110.716 167.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -122.1 143.01 49.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.307 1.443 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -129.95 151.29 50.66 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.375 1.87 . . . . 0.0 109.938 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.45 148.22 35.78 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.18 102.95 7.35 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 125.724 1.61 . . . . 0.0 111.007 -170.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.23 145.21 59.46 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.135 2.557 . . . . 0.0 112.383 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.64 3.18 78.23 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.887 1.232 . . . . 0.0 115.731 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.33 163.56 13.02 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.771 1.285 . . . . 0.0 112.505 171.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.89 160.6 38.86 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.613 2.365 . . . . 0.0 109.704 168.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.25 119.72 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.96 -41.74 3.23 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.545 1.069 . . . . 0.0 114.857 -175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -150.12 145.6 26.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.444 1.098 . . . . 0.0 112.083 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -133.33 114.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 126.214 1.806 . . . . 0.0 108.883 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -109.59 98.28 7.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.961 1.305 . . . . 0.0 110.792 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.64 -30.92 69.73 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.529 -0.732 . . . . 0.0 111.863 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -64.43 -18.54 64.82 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -122.28 -18.28 6.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.624 1.17 . . . . 0.0 113.935 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.56 42.18 73.45 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.837 0.732 . . . . 0.0 112.775 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -125.47 134.26 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.498 1.119 . . . . 0.0 111.027 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.35 117.31 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.289 1.436 . . . . 0.0 109.063 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.3 t -103.4 129.89 50.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.725 1.21 . . . . 0.0 111.384 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.7 mt -99.34 150.49 22.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.18 0.992 . . . . 0.0 112.206 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.4 161.45 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.311 1.844 . . . . 0.0 111.52 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 111.607 179.339 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.9 t . . . . . 0 CA--C 1.546 0.82 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptm -148.18 150.58 34.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.767 1.627 . . . . 0.0 110.754 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.43 -179.15 5.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.5 1.52 . . . . 0.0 112.527 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -109.06 143.91 37.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.655 0.782 . . . . 0.0 111.732 161.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -91.12 143.09 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.359 1.464 . . . . 0.0 110.115 169.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.75 137.6 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.714 1.206 . . . . 0.0 111.024 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 126.029 1.732 . . . . 0.0 111.59 -176.47 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.9 t . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 121.429 0.633 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -137.51 135.14 36.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.829 1.652 . . . . 0.0 110.378 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -131.05 117.78 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.19 1.396 . . . . 0.0 109.093 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.03 167.5 39.96 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.373 0.987 . . . . 0.0 114.22 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 55.93 35.1 24.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.067 1.747 . . . . 0.0 114.863 171.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.2 129.92 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.581 1.552 . . . . 0.0 111.11 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.7 mt -97.52 -30.23 13.0 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.1 0.96 . . . . 0.0 113.308 174.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -157.31 150.51 23.73 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -139.17 139.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.973 1.709 . . . . 0.0 110.077 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -125.35 147.9 48.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.188 1.795 . . . . 0.0 110.146 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.58 105.5 12.52 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.219 1.408 . . . . 0.0 108.854 165.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -72.91 176.8 5.36 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.911 1.284 . . . . 0.0 110.873 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 43.06 0.84 Allowed Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.83 1.205 . . . . 0.0 115.675 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.26 -6.5 0.13 Allowed Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.412 1.325 . . . . 0.0 116.412 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 152.36 22.38 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.394 1.597 . . . . 0.0 111.942 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.9 m -93.77 157.49 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 121.704 -0.623 . . . . 0.0 112.382 167.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -134.18 135.55 43.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.151 2.18 . . . . 0.0 110.084 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -129.1 134.8 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.942 2.097 . . . . 0.0 109.788 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -130.56 130.68 44.39 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.715 0.806 . . . . 0.0 112.557 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.3 p -91.82 166.94 12.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.94 -28.14 55.56 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.777 2.031 . . . . 0.0 113.32 170.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -100.09 18.29 18.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.665 1.586 . . . . 0.0 113.101 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.33 28.57 18.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.888 2.075 . . . . 0.0 114.7 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -79.57 140.75 37.08 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.128 -0.982 . . . . 0.0 110.197 164.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -116.08 136.34 53.11 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.848 1.259 . . . . 0.0 111.398 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -130.49 141.87 50.49 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.605 1.562 . . . . 0.0 109.607 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.09 143.62 30.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.312 0.645 . . . . 0.0 112.666 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -144.55 114.02 5.15 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.351 1.06 . . . . 0.0 111.394 -169.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.86 151.52 84.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.007 2.471 . . . . 0.0 113.876 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.97 12.27 83.41 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.859 1.218 . . . . 0.0 115.784 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 161.42 15.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.464 1.132 . . . . 0.0 113.001 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 164.25 30.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.054 2.142 . . . . 0.0 110.71 166.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.0 mt -74.33 121.83 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.13 -0.982 . . . . 0.0 109.503 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.79 -38.4 3.9 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.777 1.18 . . . . 0.0 114.227 -177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.97 148.37 32.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.149 1.38 . . . . 0.0 111.916 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.59 119.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.031 1.732 . . . . 0.0 107.659 167.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -129.02 100.17 5.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.163 . . . . 0.0 110.196 -174.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.6 mt -85.96 -13.48 47.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.723 1.209 . . . . 0.0 113.438 -174.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -70.69 -46.86 62.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.729 1.212 . . . . 0.0 110.96 167.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.54 -32.19 47.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.826 1.25 . . . . 0.0 113.626 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.74 41.78 10.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.718 1.151 . . . . 0.0 112.914 -172.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.1 141.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.165 1.386 . . . . 0.0 111.538 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -119.13 122.4 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 126.152 1.781 . . . . 0.0 108.173 171.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.5 m -109.0 128.07 54.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.04 0.936 . . . . 0.0 110.899 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.4 mt -106.85 148.27 28.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.665 1.186 . . . . 0.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -136.24 160.25 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 126.248 1.819 . . . . 0.0 111.097 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 123.492 0.717 . . . . 0.0 112.401 179.738 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.698 0.285 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.12 178.72 6.86 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.228 1.411 . . . . 0.0 112.367 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -110.08 137.32 48.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 111.582 164.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 t -89.94 143.53 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.683 1.193 . . . . 0.0 110.095 172.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -127.72 136.3 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.435 1.494 . . . . 0.0 110.205 166.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.467 0.418 0 C-N-CA 125.104 1.362 . . . . 0.0 111.76 -174.441 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.474 0.178 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -127.42 148.16 50.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.018 1.327 . . . . 0.0 111.96 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.3 mt -135.47 120.68 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.183 1.393 . . . . 0.0 109.107 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.31 168.83 37.15 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.53 1.062 . . . . 0.0 114.304 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 56.96 29.5 16.45 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.447 1.499 . . . . 0.0 114.955 173.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 99.7 t -75.04 124.71 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.88 1.272 . . . . 0.0 110.828 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 30.0 tp -94.49 -34.85 12.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.528 1.531 . . . . 0.0 112.426 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -156.47 154.04 29.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 122.101 0.953 . . . . 0.0 112.926 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -138.32 138.42 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.607 1.963 . . . . 0.0 109.503 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -136.77 120.59 17.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.14 20.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.644 1.178 . . . . 0.0 110.478 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -87.85 -176.54 5.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.741 1.616 . . . . 0.0 110.9 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.15 52.17 Favored Glycine 0 CA--C 1.542 1.776 0 O-C-N 120.609 -1.307 . . . . 0.0 116.203 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.58 18.09 0.21 Allowed Glycine 0 CA--C 1.539 1.56 0 CA-C-N 118.43 1.115 . . . . 0.0 115.166 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 158.53 33.49 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 0.0 111.911 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.9 138.68 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.554 0.742 . . . . 0.0 111.362 163.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -106.83 140.0 40.36 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.747 2.019 . . . . 0.0 110.171 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.3 t -131.42 122.15 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 126.498 1.919 . . . . 0.0 109.495 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.4 m -126.58 131.73 51.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.977 0.911 . . . . 0.0 112.172 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.9 p -91.85 161.29 14.91 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.288 1.435 . . . . 0.0 112.348 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -72.3 -4.09 27.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.35 7.48 38.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.231 1.412 . . . . 0.0 113.016 168.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 62.49 18.33 10.31 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.148 2.179 . . . . 0.0 114.463 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.6 138.13 37.34 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.874 -1.141 . . . . 0.0 110.152 163.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -132.37 143.42 49.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.727 1.211 . . . . 0.0 111.763 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -127.08 149.39 49.95 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.407 1.883 . . . . 0.0 109.97 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.85 142.03 42.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.987 0.915 . . . . 0.0 112.502 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -138.95 94.69 9.89 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.155 1.382 . . . . 0.0 111.165 -169.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -59.15 144.55 99.34 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.243 2.629 . . . . 0.0 113.01 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.84 12.99 82.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.618 1.104 . . . . 0.0 115.251 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -110.02 164.4 12.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.723 1.209 . . . . 0.0 112.837 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 162.54 35.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.056 2.142 . . . . 0.0 110.461 165.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.15 123.58 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.862 -1.149 . . . . 0.0 109.087 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.85 -35.44 4.01 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.433 1.016 . . . . 0.0 114.397 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -148.73 156.81 42.88 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.502 1.151 . . . . 0.0 112.163 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.39 124.27 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.179 164.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -120.51 86.96 2.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.273 1.829 . . . . 0.0 109.462 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -69.2 -23.16 63.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.756 0.822 . . . . 0.0 112.206 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -58.83 -28.55 66.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.041 1.736 . . . . 0.0 113.03 167.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -108.84 -24.29 11.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.023 1.729 . . . . 0.0 113.921 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.96 38.22 20.03 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.754 1.168 . . . . 0.0 113.208 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.58 140.83 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.789 1.236 . . . . 0.0 112.268 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.8 mt -123.39 130.5 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.533 1.933 . . . . 0.0 108.929 172.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.0 m -111.28 128.9 56.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.075 0.95 . . . . 0.0 111.015 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.86 152.31 19.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.841 0.856 . . . . 0.0 111.789 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -130.5 162.51 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.456 1.902 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--O 1.24 0.563 0 C-N-CA 123.877 0.871 . . . . 0.0 110.98 179.556 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 CA--C 1.544 0.743 0 CA-C-O 121.58 0.705 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.46 165.73 26.6 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.309 1.444 . . . . 0.0 110.058 163.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.06 168.46 19.69 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -91.56 139.17 30.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.912 1.685 . . . . 0.0 109.649 163.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.89 141.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.104 1.362 . . . . 0.0 109.765 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.64 143.78 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.239 1.016 . . . . 0.0 112.745 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 127.162 2.185 . . . . 0.0 110.776 179.497 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.41 152.83 44.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.024 0.93 . . . . 0.0 113.187 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.3 mt -131.74 124.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 0.0 108.527 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.49 170.9 35.9 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.298 0.951 . . . . 0.0 113.51 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.05 31.67 20.99 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.2 t -75.13 131.53 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.948 1.699 . . . . 0.0 111.98 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.1 mt -99.45 -23.23 15.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.6 1.16 . . . . 0.0 114.024 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -152.59 146.81 25.51 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.59 130.13 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.426 1.891 . . . . 0.0 109.008 171.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -139.05 130.48 27.06 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.157 0.983 . . . . 0.0 111.656 -174.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.1 147.84 31.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.677 0.791 . . . . 0.0 110.974 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -130.06 -175.7 3.7 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.37 2.268 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.58 75.86 0.21 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.762 1.172 . . . . 0.0 113.215 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.86 24.63 27.12 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.535 1.541 . . . . 0.0 115.27 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.33 169.12 24.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.902 1.281 . . . . 0.0 112.862 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -124.19 141.93 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 125.009 1.324 . . . . 0.0 111.04 167.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -114.73 146.84 40.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.089 2.156 . . . . 0.0 111.013 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.4 t -139.95 136.72 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 126.611 1.964 . . . . 0.0 109.472 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.6 m -137.25 134.06 35.76 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.883 1.219 . . . . 0.0 112.998 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -87.79 169.68 11.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.918 1.687 . . . . 0.0 113.505 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.75 -12.15 57.54 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 171.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -83.33 3.16 32.75 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.909 1.283 . . . . 0.0 113.014 169.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 63.14 17.43 10.16 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.218 2.207 . . . . 0.0 114.415 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -79.94 116.96 20.38 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.707 -1.245 . . . . 0.0 110.305 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -91.59 143.08 26.94 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.367 1.067 . . . . 0.0 112.146 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -133.43 148.24 51.76 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.902 2.081 . . . . 0.0 109.566 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.51 142.52 31.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.517 0.727 . . . . 0.0 112.472 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -138.53 109.82 8.07 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.166 1.386 . . . . 0.0 111.47 -170.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.22 149.51 45.84 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.013 2.475 . . . . 0.0 112.216 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.65 11.39 84.07 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 124.85 1.214 . . . . 0.0 115.302 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.41 164.22 12.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.938 1.295 . . . . 0.0 112.652 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.25 161.84 35.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.32 2.248 . . . . 0.0 110.099 165.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -73.97 114.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.321 -0.862 . . . . 0.0 108.969 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.51 -55.14 2.1 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.171 0.891 . . . . 0.0 113.178 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -143.94 147.22 33.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.264 1.025 . . . . 0.0 111.683 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.16 126.42 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.688 1.595 . . . . 0.0 108.836 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -135.96 103.74 5.47 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.148 0.979 . . . . 0.0 110.256 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.28 -30.09 54.14 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.214 1.406 . . . . 0.0 112.246 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -65.57 -41.58 92.74 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 0.0 111.39 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 t -80.26 -32.85 38.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.759 1.223 . . . . 0.0 113.177 172.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.28 32.24 29.01 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.529 1.538 . . . . 0.0 114.003 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.07 142.31 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.89 1.276 . . . . 0.0 111.834 -171.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -126.13 132.05 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 127.368 2.267 . . . . 0.0 108.839 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -118.61 123.7 45.64 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.498 1.119 . . . . 0.0 111.274 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.64 152.62 20.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.419 1.088 . . . . 0.0 111.705 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.52 159.03 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.751 1.621 . . . . 0.0 111.809 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.473 0.698 0 C-N-CA 123.727 0.811 . . . . 0.0 111.661 -178.094 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.34 172.21 11.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.921 1.289 . . . . 0.0 112.896 -171.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -106.64 134.24 50.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.519 1.128 . . . . 0.0 111.06 166.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -99.15 139.12 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.346 1.458 . . . . 0.0 109.931 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.88 139.38 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 111.813 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.471 0.601 0 C-N-CA 126.532 1.933 . . . . 0.0 111.019 179.497 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -129.3 135.3 48.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.101 1.361 . . . . 0.0 110.444 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.28 117.77 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.74 1.216 . . . . 0.0 109.071 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.14 165.83 34.7 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.21 0.909 . . . . 0.0 113.77 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 55.44 34.12 22.34 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.756 1.622 . . . . 0.0 114.291 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.96 125.59 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.121 1.369 . . . . 0.0 111.019 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.4 mt -85.73 -31.53 22.37 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.394 1.077 . . . . 0.0 112.767 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -162.19 149.86 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 112.947 -172.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.49 152.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.827 1.651 . . . . 0.0 111.564 172.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -139.27 127.19 22.21 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.883 1.273 . . . . 0.0 111.388 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.89 138.11 34.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.56 1.144 . . . . 0.0 111.225 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -131.09 179.29 6.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.471 1.908 . . . . 0.0 110.861 -177.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.76 28.18 0.23 Allowed Glycine 0 CA--C 1.541 1.701 0 C-N-CA 126.026 1.774 . . . . 0.0 117.137 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.61 -0.1 0.04 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.402 1.477 . . . . 0.0 115.896 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.69 164.51 33.91 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.144 1.972 . . . . 0.0 112.997 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.12 141.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.422 1.489 . . . . 0.0 111.059 164.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -114.5 147.86 38.74 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.741 2.016 . . . . 0.0 111.135 171.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -141.58 136.8 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.454 1.901 . . . . 0.0 110.099 -171.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -134.39 131.64 38.46 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.674 1.124 . . . . 0.0 113.373 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.9 p -86.25 172.37 10.54 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.77 -29.92 12.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.985 2.514 . . . . 0.0 113.372 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -100.47 15.47 27.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.295 1.438 . . . . 0.0 113.003 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.02 21.26 10.38 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.957 2.103 . . . . 0.0 114.586 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.48 125.7 28.52 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.996 -1.065 . . . . 0.0 109.851 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -99.47 140.58 33.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.009 0.924 . . . . 0.0 112.334 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -128.82 150.23 50.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.122 1.769 . . . . 0.0 109.834 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.53 142.8 30.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.657 0.783 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -139.76 110.92 7.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.8 1.24 . . . . 0.0 111.404 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.8 149.84 54.85 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.856 2.371 . . . . 0.0 112.637 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.66 6.94 88.85 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.393 1.473 . . . . 0.0 115.288 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.43 164.28 11.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.608 1.204 . . . . 0.0 113.062 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.56 165.47 27.42 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.522 2.329 . . . . 0.0 110.068 162.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.1 mt -76.53 122.75 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.82 -39.14 3.93 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.133 0.873 . . . . 0.0 114.212 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -146.99 152.57 38.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.454 1.102 . . . . 0.0 112.335 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.15 138.18 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.351 1.46 . . . . 0.0 110.478 161.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -132.02 98.37 4.42 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.41 1.884 . . . . 0.0 108.672 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.23 -27.49 64.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.301 1.44 . . . . 0.0 111.802 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.87 -41.83 86.63 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.711 1.604 . . . . 0.0 111.417 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 38.3 m -89.95 -23.35 21.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.77 1.228 . . . . 0.0 113.992 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.98 42.46 19.9 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.664 1.126 . . . . 0.0 112.963 -172.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.97 143.16 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.159 1.384 . . . . 0.0 112.271 -170.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.9 mt -127.81 136.18 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.001 2.12 . . . . 0.0 109.384 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 14.6 m -118.35 126.86 52.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 174.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.5 mt -94.93 153.74 17.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.827 0.851 . . . . 0.0 111.579 171.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.81 161.46 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 126.55 1.94 . . . . 0.0 111.128 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.294 1.038 . . . . 0.0 111.106 177.03 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -144.45 153.08 41.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.367 1.067 . . . . 0.0 111.56 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.57 -174.59 3.28 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.675 1.59 . . . . 0.0 112.007 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -122.23 137.03 54.98 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.84 0.856 . . . . 0.0 111.675 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 t -82.57 144.68 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 110.133 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.87 138.0 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.312 1.445 . . . . 0.0 111.598 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 126.324 1.85 . . . . 0.0 109.963 177.368 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -137.37 149.27 46.86 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.568 1.147 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.4 mt -130.76 120.68 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.287 1.435 . . . . 0.0 108.825 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.56 165.9 37.4 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.938 0.78 . . . . 0.0 114.148 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 54.07 39.43 30.61 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.229 1.812 . . . . 0.0 113.687 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.54 127.65 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.084 1.754 . . . . 0.0 111.26 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -93.23 -36.17 12.73 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.255 1.022 . . . . 0.0 112.508 170.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -136.96 144.19 43.25 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.875 0.761 . . . . 0.0 112.889 -170.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.59 129.89 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.202 1.401 . . . . 0.0 108.883 173.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -136.57 119.83 16.75 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.94 0.896 . . . . 0.0 111.457 -169.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.6 135.74 36.12 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.275 0.56 . . . . 0.0 110.353 167.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -133.41 -169.46 2.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.009 1.724 . . . . 0.0 110.811 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.37 73.96 0.3 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.272 1.415 . . . . 0.0 113.794 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 18.3 32.52 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.662 1.601 . . . . 0.0 114.978 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.84 164.28 38.72 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.954 1.377 . . . . 0.0 112.597 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -113.44 136.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.197 0.999 . . . . 0.0 110.684 163.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -107.97 151.79 25.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.564 1.945 . . . . 0.0 110.894 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -140.53 133.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.146 1.778 . . . . 0.0 110.107 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.2 m -124.84 130.72 52.93 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.398 0.999 . . . . 0.0 111.989 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -88.53 167.65 13.24 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.134 1.374 . . . . 0.0 113.702 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tt -55.5 -28.75 56.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 113.411 169.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -85.89 7.15 25.23 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.903 1.681 . . . . 0.0 113.335 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 61.92 18.22 9.64 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.334 1.854 . . . . 0.0 114.697 -174.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.13 152.13 32.97 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.159 -0.963 . . . . 0.0 110.988 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -128.13 140.05 52.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.235 1.014 . . . . 0.0 112.369 -175.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -127.06 151.46 48.58 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.912 1.685 . . . . 0.0 109.487 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.07 143.76 30.6 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.768 0.827 . . . . 0.0 112.493 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.73 111.55 8.89 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.474 1.51 . . . . 0.0 111.084 -171.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.36 147.9 53.76 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.04 2.8 83.62 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.535 1.54 . . . . 0.0 115.611 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.3 mt -94.74 166.1 12.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.254 1.527 . . . . 0.0 112.945 174.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.26 162.22 35.52 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.784 2.434 . . . . 0.0 110.588 165.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -75.5 121.33 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.29 -43.43 3.23 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.409 1.004 . . . . 0.0 114.052 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -151.41 147.07 26.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.548 1.139 . . . . 0.0 112.38 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.3 t -126.77 130.41 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.818 2.047 . . . . 0.0 108.599 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -134.81 103.18 5.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.936 1.295 . . . . 0.0 110.123 -174.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.81 -27.1 44.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.421 1.488 . . . . 0.0 112.239 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -67.0 -49.19 66.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.868 0.867 . . . . 0.0 110.929 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -85.76 -23.08 27.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.51 1.124 . . . . 0.0 113.772 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.84 45.86 11.82 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.73 1.157 . . . . 0.0 113.304 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -133.87 142.79 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.595 1.158 . . . . 0.0 111.445 -173.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.8 mt -126.66 124.92 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.63 1.572 . . . . 0.0 109.176 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 t -109.41 128.58 55.24 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.021 1.328 . . . . 0.0 111.574 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -101.46 150.08 23.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.363 1.065 . . . . 0.0 111.984 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.59 161.58 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.979 1.712 . . . . 0.0 110.909 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 124.521 1.128 . . . . 0.0 111.535 -179.74 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.852 0.358 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.7 177.42 5.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.199 1.399 . . . . 0.0 112.649 -171.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 132.71 56.49 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.414 1.085 . . . . 0.0 111.46 167.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.88 144.93 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.929 1.691 . . . . 0.0 110.342 173.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.48 140.54 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.161 1.384 . . . . 0.0 112.182 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 126.994 2.118 . . . . 0.0 110.639 177.855 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -136.82 149.05 47.51 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.861 1.264 . . . . 0.0 112.213 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.3 mt -132.33 121.23 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.659 1.583 . . . . 0.0 108.727 175.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.22 170.13 33.98 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.23 0.919 . . . . 0.0 114.236 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 57.44 33.63 23.54 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.99 1.716 . . . . 0.0 114.634 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.84 129.14 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.287 1.835 . . . . 0.0 111.469 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -92.06 -29.94 16.29 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.603 1.161 . . . . 0.0 113.511 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.91 155.47 34.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.19 131.9 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.908 1.683 . . . . 0.0 109.409 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -119.79 143.12 48.01 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.749 1.62 . . . . 0.0 110.447 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.6 136.27 53.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.795 1.238 . . . . 0.0 112.21 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -102.96 179.72 4.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.368 1.867 . . . . 0.0 110.407 168.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.6 -13.54 45.87 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.856 -1.153 . . . . 0.0 115.42 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.06 32.77 0.29 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.952 1.263 . . . . 0.0 114.402 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.48 166.19 25.22 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.519 1.528 . . . . 0.0 112.11 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -129.51 160.48 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 164.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -132.66 140.21 48.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.888 2.075 . . . . 0.0 110.283 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -131.47 131.95 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.961 2.104 . . . . 0.0 110.058 -171.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -132.94 134.7 44.88 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.142 0.977 . . . . 0.0 112.589 -175.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 p -103.28 167.78 9.6 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.742 1.617 . . . . 0.0 112.929 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.74 -9.61 51.69 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -82.68 4.37 25.23 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.105 1.362 . . . . 0.0 113.587 171.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 62.46 15.61 7.95 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.778 2.031 . . . . 0.0 114.29 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.41 148.5 35.45 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.925 -1.109 . . . . 0.0 111.366 168.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -137.26 141.47 41.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.615 1.166 . . . . 0.0 112.012 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.0 148.65 50.1 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.568 1.947 . . . . 0.0 110.031 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.53 144.27 34.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.884 0.874 . . . . 0.0 112.319 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -140.14 104.24 6.69 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 124.898 1.279 . . . . 0.0 111.131 -171.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.45 143.41 47.43 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.457 2.105 . . . . 0.0 111.792 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.13 4.65 88.16 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.586 1.565 . . . . 0.0 114.62 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.56 161.75 13.62 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.658 1.229 . . . . 0.0 112.109 172.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.28 161.62 35.27 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.911 2.085 . . . . 0.0 110.258 164.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.39 115.55 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.39 -68.63 1.31 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.981 0.8 . . . . 0.0 112.516 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -140.95 141.84 34.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 111.878 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.54 132.86 69.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 127.256 2.223 . . . . 0.0 109.028 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.54 90.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.861 1.265 . . . . 0.0 108.827 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.53 -13.24 60.35 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.282 1.033 . . . . 0.0 113.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -71.4 -40.19 70.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.123 0.969 . . . . 0.0 110.852 172.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -83.05 -28.87 29.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.189 1.396 . . . . 0.0 113.69 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.93 30.31 23.67 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 126.006 1.765 . . . . 0.0 113.976 -174.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -118.08 142.6 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.836 1.654 . . . . 0.0 112.405 -169.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.8 mt -123.3 112.17 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.565 1.546 . . . . 0.0 109.038 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -96.24 121.61 38.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.22 1.408 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.33 151.71 21.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.22 159.02 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.716 1.606 . . . . 0.0 111.409 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 124.042 0.937 . . . . 0.0 111.469 178.242 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 121.236 0.541 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -150.76 160.09 44.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.272 1.429 . . . . 0.0 110.656 168.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.03 -179.43 5.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.866 1.266 . . . . 0.0 112.643 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -104.32 145.03 30.83 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 157.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -88.07 143.28 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.94 0.896 . . . . 0.0 109.484 163.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.01 138.95 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.492 1.517 . . . . 0.0 110.554 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.536 0.404 0 C-N-CA 126.052 1.741 . . . . 0.0 110.703 179.413 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -134.87 147.45 49.87 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.829 1.252 . . . . 0.0 112.107 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.22 120.72 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.591 1.556 . . . . 0.0 108.83 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.88 167.33 36.41 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.777 1.18 . . . . 0.0 115.095 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 54.27 34.99 21.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.385 1.874 . . . . 0.0 114.527 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.65 126.08 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.299 1.439 . . . . 0.0 111.254 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.6 mt -87.9 -37.01 16.83 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.121 0.969 . . . . 0.0 112.367 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.44 151.75 34.53 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -168.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.59 137.23 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.927 1.691 . . . . 0.0 109.392 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -130.6 124.57 32.04 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.239 1.815 . . . . 0.0 110.385 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.82 48.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.602 1.161 . . . . 0.0 111.581 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -86.59 -174.4 4.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.79 1.636 . . . . 0.0 111.001 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -14.96 53.17 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.864 -1.147 . . . . 0.0 114.988 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.21 37.51 0.17 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.566 1.079 . . . . 0.0 114.031 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.33 162.72 33.55 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.056 1.742 . . . . 0.0 110.895 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.88 140.89 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 111.711 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -119.19 145.51 45.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.238 2.215 . . . . 0.0 110.594 173.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.4 t -140.16 131.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.783 1.633 . . . . 0.0 109.649 -169.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.8 m -131.44 134.12 45.88 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.089 1.313 . . . . 0.0 113.483 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 p -85.49 172.09 11.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.692 1.597 . . . . 0.0 114.707 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -51.96 -26.08 9.69 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.647 2.379 . . . . 0.0 113.755 168.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.55 18.0 22.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 113.158 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 62.04 16.75 8.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.276 2.231 . . . . 0.0 114.935 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -78.7 117.44 19.84 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.146 -0.971 . . . . 0.0 110.359 174.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -95.1 142.15 27.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.894 0.878 . . . . 0.0 112.368 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -124.63 151.47 44.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.246 2.219 . . . . 0.0 109.493 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.55 139.75 31.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.998 0.919 . . . . 0.0 112.679 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -142.59 111.15 5.8 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.38 1.472 . . . . 0.0 111.623 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.68 150.95 51.47 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.846 2.364 . . . . 0.0 111.802 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 12.73 82.47 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.42 1.01 . . . . 0.0 114.989 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 mt -108.92 163.95 12.84 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.75 1.275 . . . . 0.0 113.121 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.36 163.67 33.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.021 2.128 . . . . 0.0 110.363 163.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -76.3 121.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.768 0.827 . . . . 0.0 109.586 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.8 -44.5 2.87 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.089 1.328 . . . . 0.0 114.174 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -150.06 145.15 26.21 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.399 1.08 . . . . 0.0 110.794 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.49 130.12 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.413 1.885 . . . . 0.0 108.44 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -138.33 99.65 3.91 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.692 0.797 . . . . 0.0 110.821 -165.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.56 -31.68 60.13 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.916 1.286 . . . . 0.0 111.526 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -65.09 -40.59 94.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.878 1.671 . . . . 0.0 112.502 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -97.94 -21.02 17.09 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.39 52.1 5.75 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.77 1.176 . . . . 0.0 113.572 -176.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.9 t -141.21 144.63 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.233 1.413 . . . . 0.0 111.949 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.02 127.69 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.594 1.157 . . . . 0.0 109.643 161.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.1 t -106.12 126.5 52.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.762 1.225 . . . . 0.0 110.7 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -101.6 150.51 23.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.362 1.465 . . . . 0.0 111.928 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.25 159.36 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.729 1.612 . . . . 0.0 111.181 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.74 1.216 . . . . 0.0 111.556 -178.366 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.4 ptm . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.65 -176.95 4.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.657 1.183 . . . . 0.0 112.496 -170.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -122.06 149.6 43.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.141 0.976 . . . . 0.0 112.86 165.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.6 t -95.39 144.65 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 110.559 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.12 137.5 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.121 1.368 . . . . 0.0 111.314 170.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 126.338 1.855 . . . . 0.0 110.876 177.706 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.69 148.01 50.23 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.426 1.09 . . . . 0.0 111.758 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.6 mt -130.18 118.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.918 1.287 . . . . 0.0 108.969 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.23 169.69 40.13 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.245 0.926 . . . . 0.0 114.209 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 57.0 34.81 25.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.757 1.623 . . . . 0.0 114.575 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.07 131.21 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.36 1.464 . . . . 0.0 111.082 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -98.94 -28.68 13.32 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.232 1.413 . . . . 0.0 113.418 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -158.92 159.33 34.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.5 t -133.66 137.32 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 127.313 2.245 . . . . 0.0 109.52 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -129.28 131.74 47.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.808 1.643 . . . . 0.0 111.135 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.65 129.36 41.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.074 0.95 . . . . 0.0 110.685 168.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -110.7 170.62 7.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.73 . . . . 0.0 110.527 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.07 33.46 0.52 Allowed Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.387 1.47 . . . . 0.0 115.538 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.06 -1.3 0.03 OUTLIER Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.857 1.694 . . . . 0.0 115.686 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.54 163.83 29.94 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.393 1.596 . . . . 0.0 112.18 -175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -106.42 144.54 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.246 1.018 . . . . 0.0 110.881 158.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -125.52 145.98 49.86 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.978 2.111 . . . . 0.0 110.467 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.22 134.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.479 1.512 . . . . 0.0 110.433 -169.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.8 m -122.06 129.81 52.73 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.124 0.969 . . . . 0.0 112.324 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.4 p -91.55 166.39 12.86 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.01 1.324 . . . . 0.0 113.394 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.6 tp -55.96 -25.68 44.83 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.953 2.101 . . . . 0.0 113.953 169.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -101.86 19.99 17.25 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.564 1.546 . . . . 0.0 113.648 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t0 60.46 25.62 15.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.027 2.131 . . . . 0.0 114.662 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.26 143.03 31.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.083 -1.01 . . . . 0.0 110.279 165.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -114.1 137.01 52.3 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.374 1.07 . . . . 0.0 111.565 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -118.82 150.78 39.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.801 1.64 . . . . 0.0 110.16 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.25 141.2 28.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.732 0.813 . . . . 0.0 112.737 -176.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -140.46 96.45 7.78 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 125.525 1.53 . . . . 0.0 111.629 -170.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.82 144.14 99.5 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.447 2.764 . . . . 0.0 113.144 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 5.59 85.47 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.04 1.305 . . . . 0.0 115.465 175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.32 161.28 13.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.685 1.242 . . . . 0.0 112.742 170.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.83 158.06 45.13 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.386 2.275 . . . . 0.0 109.878 168.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.48 122.09 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.438 -0.788 . . . . 0.0 109.545 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.13 -42.67 2.36 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.541 1.067 . . . . 0.0 114.327 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -146.92 146.56 30.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.589 1.156 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.31 137.48 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.403 1.881 . . . . 0.0 109.013 171.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -145.91 96.79 2.86 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.221 1.008 . . . . 0.0 109.973 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.9 mt -79.72 -19.32 49.13 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.086 1.355 . . . . 0.0 112.694 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -69.81 -43.99 70.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.955 1.702 . . . . 0.0 110.302 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -78.52 -32.44 48.04 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.184 1.394 . . . . 0.0 112.999 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.15 36.66 17.36 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.073 1.321 . . . . 0.0 113.637 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.52 142.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.204 1.402 . . . . 0.0 112.673 -170.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.19 126.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.854 1.662 . . . . 0.0 109.509 168.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.9 m -107.66 132.81 52.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.748 1.219 . . . . 0.0 111.712 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.6 mt -101.86 154.82 18.58 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.347 1.059 . . . . 0.0 112.365 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.58 162.63 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.598 1.959 . . . . 0.0 111.5 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.473 0.716 0 O-C-N 121.165 -0.96 . . . . 0.0 111.662 179.325 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 CA--C 1.542 0.636 0 CA-C-O 121.01 0.433 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.9 ptp -153.13 171.8 17.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.653 1.581 . . . . 0.0 110.979 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.53 177.68 7.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.83 1.252 . . . . 0.0 111.794 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -112.33 140.59 46.92 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.604 0.761 . . . . 0.0 110.607 157.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.9 t -88.18 142.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.622 1.169 . . . . 0.0 109.952 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.2 137.58 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.991 1.317 . . . . 0.0 110.819 166.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 125.927 1.691 . . . . 0.0 111.948 -176.488 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 121.135 0.493 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -124.72 151.06 45.52 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.517 0.727 . . . . 0.0 112.557 168.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.1 mt -132.08 115.22 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.329 1.451 . . . . 0.0 107.966 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.22 168.54 42.73 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.488 1.042 . . . . 0.0 113.81 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 57.56 30.7 19.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.133 1.373 . . . . 0.0 114.69 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -72.62 129.13 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.503 1.121 . . . . 0.0 111.185 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.2 mt -99.61 -27.92 13.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.168 0.987 . . . . 0.0 113.137 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -156.81 158.45 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.368 0.986 . . . . 0.0 113.133 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.87 140.5 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 127.078 2.151 . . . . 0.0 110.162 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -128.92 132.5 47.67 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.019 2.127 . . . . 0.0 111.456 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.16 123.76 29.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.124 0.57 . . . . 0.0 110.486 163.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -94.81 174.2 7.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.931 1.693 . . . . 0.0 111.057 170.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.64 84.56 0.2 Allowed Glycine 0 CA--C 1.533 1.189 0 O-C-N 121.101 -1.0 . . . . 0.0 111.789 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.54 14.9 39.35 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.059 1.314 . . . . 0.0 116.199 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.55 170.29 22.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.008 1.404 . . . . 0.0 112.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.7 t -122.62 143.2 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.448 1.099 . . . . 0.0 110.921 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -121.51 146.16 47.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.645 1.978 . . . . 0.0 110.948 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.8 t -141.02 138.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 126.029 1.732 . . . . 0.0 109.566 -168.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 m -131.16 135.32 47.33 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 119.81 1.186 . . . . 0.0 113.155 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.6 p -85.77 170.6 12.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.367 1.467 . . . . 0.0 113.879 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -52.22 -28.26 17.84 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.134 2.173 . . . . 0.0 113.33 168.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -98.04 17.99 17.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.298 1.439 . . . . 0.0 113.239 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t0 60.81 22.88 12.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.973 2.109 . . . . 0.0 114.303 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -85.66 118.04 24.93 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.945 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.51 141.27 29.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.284 0.633 . . . . 0.0 112.166 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -125.85 150.17 48.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.976 2.111 . . . . 0.0 109.698 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.66 139.57 29.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.886 0.874 . . . . 0.0 112.535 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -142.63 105.59 5.41 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.904 1.281 . . . . 0.0 111.895 -168.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -63.55 150.84 87.49 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 123.027 2.485 . . . . 0.0 113.581 175.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.62 5.84 86.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.699 1.143 . . . . 0.0 115.764 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.7 mt -97.29 163.53 12.86 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.538 1.169 . . . . 0.0 113.168 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.27 156.94 45.82 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.297 2.239 . . . . 0.0 110.259 167.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.66 113.31 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.08 -43.16 3.34 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.743 1.163 . . . . 0.0 114.648 -171.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -149.88 146.22 26.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.444 1.098 . . . . 0.0 111.539 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -128.61 134.78 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.987 2.115 . . . . 0.0 108.916 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -142.24 106.33 4.75 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.172 1.389 . . . . 0.0 110.203 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.19 -26.59 33.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.968 1.307 . . . . 0.0 112.699 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -70.96 -42.13 70.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.606 1.162 . . . . 0.0 111.431 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -31.71 42.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.48 1.112 . . . . 0.0 112.871 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.55 44.96 8.96 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.751 1.167 . . . . 0.0 112.487 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.3 t -135.28 141.57 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.263 1.425 . . . . 0.0 112.078 -173.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.2 mt -123.83 125.26 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.295 1.838 . . . . 0.0 108.744 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -105.81 123.42 47.93 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.259 1.024 . . . . 0.0 110.988 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.12 143.08 28.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.515 1.126 . . . . 0.0 110.984 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.35 159.98 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.691 1.596 . . . . 0.0 111.103 -174.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 124.595 1.158 . . . . 0.0 111.257 -178.859 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mtp . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 121.231 0.539 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.21 177.09 7.94 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.569 1.147 . . . . 0.0 111.882 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -124.72 140.42 52.95 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 111.482 165.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -94.4 142.39 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.308 1.443 . . . . 0.0 110.44 176.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.73 142.06 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.659 1.184 . . . . 0.0 112.242 172.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 126.388 1.875 . . . . 0.0 111.18 177.645 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -140.18 132.53 28.38 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.788 1.635 . . . . 0.0 111.014 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -129.64 118.76 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.388 1.475 . . . . 0.0 109.549 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.75 174.1 35.76 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.732 1.158 . . . . 0.0 114.54 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 55.98 33.39 21.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.985 1.714 . . . . 0.0 114.733 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -75.6 131.16 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.838 1.655 . . . . 0.0 110.59 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 mt -98.18 -30.52 12.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.288 1.035 . . . . 0.0 112.987 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -153.62 154.28 33.91 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.55 132.21 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.747 1.619 . . . . 0.0 109.129 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -117.0 142.28 47.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.08 1.752 . . . . 0.0 110.776 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.6 115.43 30.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.15 0.98 . . . . 0.0 109.435 160.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -85.75 -175.08 5.46 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.572 1.949 . . . . 0.0 111.644 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.97 -9.62 47.76 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.801 1.191 . . . . 0.0 115.995 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.34 14.07 0.15 Allowed Glycine 0 N--CA 1.48 1.571 0 CA-C-N 119.229 1.514 . . . . 0.0 115.599 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.01 169.89 23.3 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.483 1.513 . . . . 0.0 111.777 -174.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -112.01 155.51 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 121.27 0.557 . . . . 0.0 111.659 157.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -129.8 137.2 50.37 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.519 1.927 . . . . 0.0 110.245 175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.52 127.69 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 109.484 -173.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.7 m -125.91 128.03 46.93 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.116 0.871 . . . . 0.0 112.161 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -95.02 165.53 12.39 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.669 1.588 . . . . 0.0 112.748 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.79 -12.64 50.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -81.32 3.21 24.99 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.269 1.428 . . . . 0.0 113.424 173.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 60.31 14.59 4.76 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.179 2.191 . . . . 0.0 114.016 -169.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -79.77 140.73 36.8 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.445 1.098 . . . . 0.0 111.14 169.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -120.68 141.75 50.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.24 1.416 . . . . 0.0 111.654 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -121.39 150.34 41.63 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.611 1.964 . . . . 0.0 110.062 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.35 142.86 31.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.457 0.703 . . . . 0.0 112.484 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -141.23 107.66 6.19 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 -172.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.92 147.27 49.25 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.954 2.436 . . . . 0.0 111.971 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.93 6.11 72.12 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.814 1.197 . . . . 0.0 115.774 174.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 41.2 mt -95.7 165.61 12.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.509 1.155 . . . . 0.0 112.028 169.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.85 159.99 41.11 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.381 2.272 . . . . 0.0 110.673 171.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -76.72 118.28 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.06 -37.7 4.04 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.394 0.997 . . . . 0.0 114.533 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.1 144.24 25.61 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.378 1.089 . . . . 0.0 111.365 -178.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.91 131.69 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.741 1.616 . . . . 0.0 108.824 173.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -143.43 103.65 4.13 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.087 0.955 . . . . 0.0 110.436 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.6 -15.33 59.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.326 1.05 . . . . 0.0 112.695 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -70.19 -45.81 65.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.712 1.205 . . . . 0.0 110.36 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -81.56 -25.94 35.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.313 1.445 . . . . 0.0 113.056 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.2 41.5 38.64 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.803 1.192 . . . . 0.0 112.069 -171.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.76 139.08 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.522 1.129 . . . . 0.0 112.044 -171.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -121.31 120.27 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.051 1.74 . . . . 0.0 108.263 170.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -102.86 127.37 50.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.62 148.7 23.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.973 1.309 . . . . 0.0 112.09 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.46 159.86 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.141 1.776 . . . . 0.0 110.674 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.23 1.012 . . . . 0.0 110.817 177.758 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.81 155.55 40.29 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.322 1.449 . . . . 0.0 110.901 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.21 178.82 7.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.121 . . . . 0.0 112.785 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -123.18 138.09 54.73 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 111.958 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.49 144.46 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.866 1.666 . . . . 0.0 110.608 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.39 140.9 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.651 1.58 . . . . 0.0 111.621 168.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 126.375 1.87 . . . . 0.0 111.267 176.379 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.059 0.456 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -134.37 151.07 51.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.274 1.43 . . . . 0.0 112.339 172.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.0 mt -130.92 121.44 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.89 1.676 . . . . 0.0 108.201 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.63 171.09 32.95 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.314 0.959 . . . . 0.0 114.019 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.42 35.48 25.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.804 1.642 . . . . 0.0 114.236 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.42 130.88 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.459 1.504 . . . . 0.0 111.56 -174.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -88.83 -39.74 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.978 1.311 . . . . 0.0 112.201 169.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -157.44 161.32 38.93 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -133.72 139.13 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 127.302 2.241 . . . . 0.0 109.091 175.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -127.5 147.4 50.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.759 1.624 . . . . 0.0 111.212 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.45 117.24 28.93 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.135 1.374 . . . . 0.0 110.641 169.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -89.25 -175.0 4.62 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.153 1.781 . . . . 0.0 110.944 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.49 -9.58 44.56 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.83 12.44 0.18 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.63 161.97 37.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 0.0 111.97 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.17 158.69 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.244 0.618 . . . . 0.0 112.315 163.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -133.8 139.88 46.57 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.463 1.905 . . . . 0.0 110.174 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -125.98 134.6 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.909 2.083 . . . . 0.0 110.149 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.2 m -128.28 130.78 48.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.832 1.253 . . . . 0.0 112.418 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 p -98.03 166.4 11.45 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.61 -28.86 61.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.0 2.12 . . . . 0.0 113.283 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -100.82 18.26 19.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.466 1.506 . . . . 0.0 113.085 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t0 60.44 30.37 19.73 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.581 1.952 . . . . 0.0 114.506 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -77.66 147.37 35.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.882 160.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -130.87 138.43 49.82 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.401 1.08 . . . . 0.0 111.035 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -130.47 145.61 51.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.829 1.652 . . . . 0.0 109.497 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 142.82 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.821 0.849 . . . . 0.0 112.225 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.91 110.41 6.6 Favored Pre-proline 0 N--CA 1.471 0.62 0 C-N-CA 124.149 0.98 . . . . 0.0 110.884 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.05 146.76 53.03 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.82 2.346 . . . . 0.0 111.75 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.39 14.41 82.2 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.77 164.04 12.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.775 1.23 . . . . 0.0 112.297 171.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 162.75 34.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.343 2.257 . . . . 0.0 110.248 166.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.18 124.56 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.541 -0.725 . . . . 0.0 109.612 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.47 -48.41 1.84 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.377 0.989 . . . . 0.0 114.186 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -150.95 150.55 30.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.177 0.991 . . . . 0.0 112.512 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.07 135.27 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.107 1.363 . . . . 0.0 111.143 162.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -113.42 109.91 19.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 108.876 167.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.36 -40.88 73.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 0.0 111.318 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -65.03 -37.86 89.0 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.381 1.072 . . . . 0.0 112.479 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -85.34 -22.15 28.61 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.643 1.177 . . . . 0.0 113.613 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.75 41.87 55.26 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.306 0.955 . . . . 0.0 113.352 -177.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.21 136.76 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.011 1.324 . . . . 0.0 111.754 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -121.83 138.76 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.67 1.988 . . . . 0.0 109.33 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -124.64 137.32 54.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.414 1.086 . . . . 0.0 111.914 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.99 148.92 30.0 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.593 1.557 . . . . 0.0 111.918 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.73 159.65 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.929 1.692 . . . . 0.0 111.227 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.531 -0.731 . . . . 0.0 111.936 -177.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.701 0.286 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.89 -176.6 4.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 112.167 -170.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -117.61 144.61 45.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.908 0.883 . . . . 0.0 113.155 165.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -90.21 147.65 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.213 1.405 . . . . 0.0 110.506 167.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.85 133.97 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.799 1.239 . . . . 0.0 110.373 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.47 0.549 0 C-N-CA 125.408 1.483 . . . . 0.0 111.404 -176.176 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.25 147.38 50.66 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.028 1.331 . . . . 0.0 111.56 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 58.2 mt -132.82 122.06 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.164 1.385 . . . . 0.0 108.907 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.41 171.31 36.5 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.466 1.031 . . . . 0.0 114.999 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.0 33.9 22.69 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.245 1.818 . . . . 0.0 114.734 173.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.97 130.89 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.269 1.828 . . . . 0.0 111.851 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 43.3 mt -102.5 -22.98 13.95 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.976 1.31 . . . . 0.0 114.218 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.63 150.52 32.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 172.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.88 133.03 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.862 1.665 . . . . 0.0 108.95 170.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -141.28 131.77 25.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.155 0.982 . . . . 0.0 112.436 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.28 118.51 25.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.399 1.08 . . . . 0.0 110.412 168.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -82.12 -173.85 4.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.579 1.552 . . . . 0.0 111.239 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.04 -11.0 43.07 Favored Glycine 0 CA--C 1.54 1.64 0 O-C-N 120.873 -1.142 . . . . 0.0 115.772 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.56 22.95 0.14 Allowed Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.923 1.361 . . . . 0.0 115.368 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.38 162.57 37.64 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.263 1.425 . . . . 0.0 111.818 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.81 136.77 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.744 0.818 . . . . 0.0 110.673 164.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -116.08 147.96 40.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.595 1.958 . . . . 0.0 110.971 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -141.52 135.07 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.376 1.871 . . . . 0.0 109.557 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -133.47 133.57 42.43 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.863 0.756 . . . . 0.0 112.374 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -88.24 171.87 9.87 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.12 -26.89 18.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.466 2.306 . . . . 0.0 113.598 168.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.82 18.29 20.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.334 1.454 . . . . 0.0 112.305 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 59.55 20.16 8.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.577 1.951 . . . . 0.0 114.86 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.64 122.43 24.65 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 171.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -96.79 141.43 30.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.101 0.96 . . . . 0.0 112.189 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -132.01 148.08 52.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.75 1.62 . . . . 0.0 109.689 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.15 139.95 26.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.059 0.944 . . . . 0.0 112.323 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.98 107.95 6.92 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.623 1.169 . . . . 0.0 110.766 -170.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.61 149.03 54.59 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.677 2.251 . . . . 0.0 111.993 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 18.97 78.63 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 172.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.01 164.08 13.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.548 1.539 . . . . 0.0 111.995 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.4 167.57 21.83 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.025 2.13 . . . . 0.0 110.262 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.07 123.42 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.262 -0.899 . . . . 0.0 110.058 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.46 -38.53 4.21 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.809 1.671 . . . . 0.0 114.65 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 mtm105 -143.69 151.97 40.73 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.959 1.303 . . . . 0.0 111.926 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -125.45 124.91 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.924 1.689 . . . . 0.0 107.983 164.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -131.6 97.15 4.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 110.455 -170.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.16 -27.24 61.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.423 1.089 . . . . 0.0 111.651 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -69.12 -50.58 46.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.363 1.465 . . . . 0.0 110.898 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -84.49 -19.83 32.66 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 113.284 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.07 45.6 19.53 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.749 1.166 . . . . 0.0 112.954 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.9 143.54 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.113 1.365 . . . . 0.0 111.6 -171.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -124.88 120.23 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.409 1.484 . . . . 0.0 108.868 167.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -98.82 123.07 42.83 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.048 0.939 . . . . 0.0 110.73 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mp -100.02 144.55 28.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.011 1.324 . . . . 0.0 109.971 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.66 157.76 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.996 1.719 . . . . 0.0 110.933 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 . . . . . 0 CA--C 1.539 0.522 0 O-C-N 121.009 -1.057 . . . . 0.0 112.254 -178.361 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 121.095 0.474 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.82 162.43 38.63 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 126.081 1.752 . . . . 0.0 110.437 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.28 179.12 6.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.196 1.398 . . . . 0.0 111.955 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -108.56 140.38 41.99 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.278 0.631 . . . . 0.0 111.252 159.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -85.72 139.09 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 123.786 0.834 . . . . 0.0 109.041 165.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -139.87 137.74 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.077 1.351 . . . . 0.0 110.061 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.468 0.463 0 C-N-CA 124.612 1.165 . . . . 0.0 111.977 -173.538 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -141.6 138.59 32.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.182 1.393 . . . . 0.0 111.326 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.01 123.07 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.756 1.622 . . . . 0.0 109.111 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.71 169.09 35.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.235 0.921 . . . . 0.0 114.937 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 55.78 33.3 21.19 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.17 1.788 . . . . 0.0 114.39 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.12 125.65 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.052 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.75 -33.72 12.18 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.887 0.875 . . . . 0.0 112.405 167.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -133.63 139.07 46.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.728 0.811 . . . . 0.0 113.06 -170.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.0 t -138.34 136.42 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.159 1.384 . . . . 0.0 108.727 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -141.67 141.4 33.35 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.061 1.345 . . . . 0.0 110.44 -170.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.55 134.47 54.83 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.387 1.075 . . . . 0.0 110.471 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -128.02 -165.84 1.54 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.983 2.113 . . . . 0.0 110.94 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.79 73.31 0.36 Allowed Glycine 0 CA--C 1.538 1.529 0 C-N-CA 125.176 1.369 . . . . 0.0 114.262 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.74 12.24 55.83 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 126.165 1.84 . . . . 0.0 115.622 175.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.95 161.13 43.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.872 1.269 . . . . 0.0 112.418 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.1 m -111.52 156.54 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.343 1.057 . . . . 0.0 112.172 169.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -134.47 139.16 45.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.613 1.965 . . . . 0.0 110.685 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -131.76 133.14 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.056 1.742 . . . . 0.0 110.244 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -129.06 137.39 51.25 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.598 1.09 . . . . 0.0 112.702 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -96.7 167.8 10.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.948 1.299 . . . . 0.0 114.322 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -55.59 -25.94 41.1 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.197 2.199 . . . . 0.0 113.706 170.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.05 19.65 20.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.45 1.5 . . . . 0.0 113.547 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t0 60.0 27.9 17.36 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.721 2.008 . . . . 0.0 114.998 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -76.55 146.92 38.05 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.964 -1.085 . . . . 0.0 110.219 160.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -130.11 138.41 50.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.206 1.003 . . . . 0.0 111.538 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -129.53 144.21 51.17 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.721 1.608 . . . . 0.0 109.288 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 144.04 32.32 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.342 0.657 . . . . 0.0 111.858 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -143.29 115.01 5.8 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 124.141 0.976 . . . . 0.0 111.101 -172.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.05 147.49 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.681 2.254 . . . . 0.0 112.032 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.14 13.36 82.8 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 173.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 mt -102.72 166.8 10.29 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.427 1.114 . . . . 0.0 112.198 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.21 158.41 43.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.716 2.006 . . . . 0.0 110.975 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.34 124.32 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.44 -50.96 1.63 Allowed Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.096 1.332 . . . . 0.0 113.93 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -146.53 150.08 34.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.564 1.546 . . . . 0.0 111.75 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.0 t -132.13 106.73 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.217 1.807 . . . . 0.0 107.85 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.52 102.8 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.957 1.303 . . . . 0.0 110.567 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.19 -47.82 63.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.736 -0.603 . . . . 0.0 111.741 -172.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.13 -40.47 90.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.926 0.89 . . . . 0.0 112.038 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t -71.82 -30.75 65.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.251 1.021 . . . . 0.0 112.81 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 40.21 37.27 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.504 1.05 . . . . 0.0 112.604 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -135.66 136.22 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.858 1.263 . . . . 0.0 111.828 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -123.78 120.53 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.682 1.593 . . . . 0.0 109.193 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.1 t -97.43 124.86 41.76 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.96 1.304 . . . . 0.0 110.715 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.54 144.46 41.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.647 1.179 . . . . 0.0 110.847 173.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.48 160.7 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.102 1.361 . . . . 0.0 111.696 -168.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 124.573 1.149 . . . . 0.0 110.562 179.689 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptm . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 -177.46 5.07 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.367 1.067 . . . . 0.0 112.591 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -123.9 141.44 52.03 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.373 1.069 . . . . 0.0 111.394 165.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.9 143.75 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.857 0.863 . . . . 0.0 110.179 170.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.81 140.66 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.657 1.583 . . . . 0.0 111.118 171.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 126.371 1.868 . . . . 0.0 111.086 178.511 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.85 0.357 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -140.13 152.76 46.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.634 1.174 . . . . 0.0 112.579 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.4 mt -127.27 122.91 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.774 1.63 . . . . 0.0 108.512 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.48 165.56 32.53 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.607 1.099 . . . . 0.0 114.354 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.06 39.13 30.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.312 1.845 . . . . 0.0 113.675 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 94.5 t -70.86 129.05 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.694 1.198 . . . . 0.0 110.717 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -99.05 -34.36 10.43 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.59 1.556 . . . . 0.0 111.943 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -159.22 154.23 25.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.773 1.229 . . . . 0.0 113.694 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -132.86 143.07 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.676 1.99 . . . . 0.0 109.999 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -136.97 132.05 33.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.832 1.253 . . . . 0.0 111.528 -171.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.79 124.64 39.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.065 0.946 . . . . 0.0 110.472 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -107.09 -176.18 3.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.72 1.608 . . . . 0.0 110.757 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.84 81.74 0.12 Allowed Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.077 -1.015 . . . . 0.0 113.299 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 23.41 40.48 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.054 1.311 . . . . 0.0 114.995 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.71 165.9 35.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.798 1.239 . . . . 0.0 112.696 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.77 145.98 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.088 1.355 . . . . 0.0 111.43 168.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -119.73 148.31 43.56 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.988 1.715 . . . . 0.0 110.698 168.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.51 129.05 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.968 1.707 . . . . 0.0 109.426 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.9 m -124.91 132.25 53.32 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.7 p -90.81 164.14 14.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.072 1.349 . . . . 0.0 113.281 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.87 -18.66 57.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 113.449 172.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -107.2 22.25 16.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.768 1.627 . . . . 0.0 113.092 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.75 13.98 6.9 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.507 2.323 . . . . 0.0 116.334 174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.63 144.4 41.75 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.947 -1.095 . . . . 0.0 110.865 163.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -129.99 144.19 51.2 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.141 1.377 . . . . 0.0 111.532 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -129.69 149.2 51.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 126.511 1.924 . . . . 0.0 110.278 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 142.79 34.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.973 0.909 . . . . 0.0 112.551 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -140.0 95.09 8.66 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.53 1.532 . . . . 0.0 111.743 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -67.08 138.67 48.29 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.623 2.215 . . . . 0.0 111.431 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.45 2.91 88.86 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.664 1.126 . . . . 0.0 115.292 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 mt -99.01 162.37 13.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.841 1.32 . . . . 0.0 112.172 166.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 156.57 47.26 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.752 2.421 . . . . 0.0 109.605 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.1 mt -71.63 121.26 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.794 -1.191 . . . . 0.0 108.789 173.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.72 -60.57 1.27 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.378 0.99 . . . . 0.0 112.835 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -145.03 155.59 43.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.583 1.153 . . . . 0.0 112.807 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.95 134.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 127.463 2.305 . . . . 0.0 108.677 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -140.03 100.93 4.04 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.114 1.365 . . . . 0.0 109.471 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 65.7 mt -80.47 -18.14 49.54 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.694 1.198 . . . . 0.0 112.93 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -68.95 -44.7 72.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.287 1.435 . . . . 0.0 109.849 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -76.38 -32.52 58.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.594 1.158 . . . . 0.0 113.224 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.57 34.43 22.53 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.413 1.483 . . . . 0.0 113.237 -174.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.84 141.15 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.976 1.31 . . . . 0.0 112.171 -169.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -122.19 126.55 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.89 1.676 . . . . 0.0 108.772 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 42.2 t -110.26 126.21 53.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.582 1.153 . . . . 0.0 111.247 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.9 mt -96.57 151.68 19.36 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.326 1.05 . . . . 0.0 112.128 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.29 162.06 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.853 1.661 . . . . 0.0 111.315 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 CA--C 1.538 0.507 0 C-N-CA 123.683 0.793 . . . . 0.0 111.872 177.818 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 133.68 55.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.017 0.927 . . . . 0.0 111.871 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.44 -174.75 2.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.714 1.605 . . . . 0.0 112.201 -173.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.64 139.2 52.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.054 0.942 . . . . 0.0 111.307 159.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 t -91.14 145.07 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.645 1.178 . . . . 0.0 110.198 173.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.26 136.96 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.513 1.525 . . . . 0.0 111.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 126.34 1.856 . . . . 0.0 111.702 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.707 0.289 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -135.0 147.21 49.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.675 1.19 . . . . 0.0 111.58 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -128.67 118.16 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.404 1.482 . . . . 0.0 108.472 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.01 166.7 37.27 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.381 0.991 . . . . 0.0 114.424 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 54.19 36.75 25.72 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.578 1.551 . . . . 0.0 114.356 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -76.29 119.09 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.011 1.324 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tt -88.91 -33.95 17.1 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.586 1.154 . . . . 0.0 112.227 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -153.36 155.44 36.44 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.857 0.863 . . . . 0.0 112.698 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.1 t -136.62 142.26 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.826 1.651 . . . . 0.0 110.334 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 mtm105 -137.06 154.63 50.29 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.283 1.833 . . . . 0.0 111.442 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -127.23 135.87 51.23 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.584 1.554 . . . . 0.0 111.213 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -107.98 7.06 27.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.801 1.641 . . . . 0.0 113.988 -168.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.86 34.95 88.76 Favored Glycine 0 CA--C 1.545 1.923 0 C-N-CA 123.927 0.775 . . . . 0.0 113.224 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.87 -19.09 0.05 OUTLIER Glycine 0 CA--C 1.539 1.561 0 C-N-CA 126.192 1.853 . . . . 0.0 113.869 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.94 162.84 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.635 1.974 . . . . 0.0 110.273 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 m -107.0 160.2 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-O 121.245 0.545 . . . . 0.0 111.803 160.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -134.05 135.36 43.26 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.113 2.165 . . . . 0.0 109.397 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.9 t -129.73 118.33 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 126.319 1.848 . . . . 0.0 109.392 -171.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.7 m -117.93 131.68 56.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.56 0.744 . . . . 0.0 112.002 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -83.1 166.79 18.41 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.468 1.107 . . . . 0.0 113.783 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.0 tp -54.21 -21.0 7.84 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.503 2.321 . . . . 0.0 113.375 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.49 18.09 21.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.283 1.833 . . . . 0.0 113.324 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.31 15.39 8.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.344 2.258 . . . . 0.0 115.897 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -76.75 142.38 40.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.929 -1.107 . . . . 0.0 110.352 166.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -125.37 129.47 49.99 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.374 0.67 . . . . 0.0 112.067 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -103.86 153.88 20.26 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.375 1.87 . . . . 0.0 110.005 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.97 35.83 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.881 0.872 . . . . 0.0 112.096 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.28 101.16 7.58 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.31 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.11 146.25 97.86 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.857 3.038 . . . . 0.0 113.753 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.05 3.9 70.54 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.032 1.301 . . . . 0.0 116.195 173.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.71 166.07 11.66 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.906 1.283 . . . . 0.0 112.083 170.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.01 161.44 37.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.847 2.459 . . . . 0.0 110.309 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.37 119.77 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.367 -0.833 . . . . 0.0 109.306 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.56 -40.76 4.64 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.99 1.281 . . . . 0.0 114.051 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -148.63 156.04 41.88 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.437 1.095 . . . . 0.0 112.383 172.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -130.68 109.56 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.08 1.752 . . . . 0.0 108.096 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -107.17 87.09 2.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.646 1.179 . . . . 0.0 109.931 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.33 -38.48 87.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.935 0.894 . . . . 0.0 112.191 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.53 -34.58 78.56 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.934 1.694 . . . . 0.0 113.182 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 t -91.12 -29.4 17.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.722 1.209 . . . . 0.0 113.806 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.15 35.0 28.26 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.704 1.145 . . . . 0.0 112.947 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.11 140.61 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.845 1.258 . . . . 0.0 111.796 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -122.76 126.47 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.549 1.54 . . . . 0.0 109.227 173.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -101.39 137.99 39.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.589 1.155 . . . . 0.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.74 143.81 43.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.934 1.294 . . . . 0.0 111.327 174.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 162.22 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.407 1.883 . . . . 0.0 110.987 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 N--CA 1.472 0.655 0 O-C-N 121.525 -0.734 . . . . 0.0 112.028 179.645 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.7 ptm . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.37 -178.82 5.46 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.281 -174.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -123.06 149.06 44.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.799 1.64 . . . . 0.0 111.5 165.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.32 143.62 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.062 1.345 . . . . 0.0 110.325 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -134.45 140.98 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.571 1.549 . . . . 0.0 111.411 172.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.47 0.564 0 C-N-CA 126.199 1.8 . . . . 0.0 110.798 178.167 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -135.66 145.18 46.51 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.847 1.259 . . . . 0.0 111.817 -175.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.98 121.38 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.427 1.491 . . . . 0.0 108.82 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.8 168.89 33.32 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.431 1.015 . . . . 0.0 113.631 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 56.16 36.33 27.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.02 1.728 . . . . 0.0 114.518 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.36 129.25 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.63 1.572 . . . . 0.0 110.978 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.17 -23.0 13.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.453 1.101 . . . . 0.0 113.654 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -158.3 153.84 26.15 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 172.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 56.7 t -134.94 140.69 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.256 2.222 . . . . 0.0 109.16 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -136.73 147.58 46.8 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.716 1.206 . . . . 0.0 111.709 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 124.68 50.62 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.615 1.166 . . . . 0.0 111.17 171.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -88.47 172.83 9.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.732 1.613 . . . . 0.0 111.145 167.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 48.63 1.22 Allowed Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.183 1.373 . . . . 0.0 114.131 173.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.99 3.43 0.21 Allowed Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.339 1.447 . . . . 0.0 116.182 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.31 162.9 37.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.677 1.739 . . . . 0.0 112.692 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -112.3 143.59 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.616 1.166 . . . . 0.0 111.572 167.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -122.37 145.9 47.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.634 2.373 . . . . 0.0 110.777 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.24 137.01 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.986 1.714 . . . . 0.0 110.478 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.0 m -131.52 128.18 38.8 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.205 1.002 . . . . 0.0 112.007 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.6 p -90.18 169.99 10.68 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -52.98 -29.16 27.4 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.945 2.098 . . . . 0.0 113.781 168.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -99.11 18.58 17.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.256 1.423 . . . . 0.0 112.969 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.29 3.0 p30 56.24 20.07 4.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 129.208 3.003 . . . . 0.0 115.227 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.77 134.84 46.45 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.968 168.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -109.94 135.88 50.1 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.397 1.079 . . . . 0.0 111.795 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -123.16 146.82 47.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.65 1.58 . . . . 0.0 109.196 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.94 142.95 30.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 112.49 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -139.63 107.19 7.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.988 1.315 . . . . 0.0 111.049 -169.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.79 144.87 49.69 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.961 2.441 . . . . 0.0 111.686 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.62 80.52 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 124.266 0.936 . . . . 0.0 114.976 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 40.2 mt -106.68 162.17 14.0 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.98 1.39 . . . . 0.0 112.295 170.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 155.84 48.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.553 1.941 . . . . 0.0 110.666 168.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 51.5 mt -74.69 119.83 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.07 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.96 -42.13 2.7 Favored Glycine 0 N--CA 1.474 1.222 0 C-N-CA 124.456 1.026 . . . . 0.0 114.384 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -149.91 145.32 26.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.83 1.252 . . . . 0.0 111.743 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -139.79 105.33 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.557 1.943 . . . . 0.0 108.606 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -110.37 112.91 25.16 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.082 0.953 . . . . 0.0 109.966 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 54.9 mt -86.47 -26.62 24.55 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -66.88 -42.46 85.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.539 1.135 . . . . 0.0 111.972 176.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 84.8 p -86.89 -21.44 26.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.409 1.084 . . . . 0.0 113.601 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.76 46.11 25.23 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.732 1.158 . . . . 0.0 112.864 -178.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -129.28 133.29 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.213 1.005 . . . . 0.0 111.471 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -120.78 129.2 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.935 1.694 . . . . 0.0 108.576 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.37 128.43 55.51 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.222 1.409 . . . . 0.0 110.776 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -98.72 151.11 21.1 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.53 1.132 . . . . 0.0 111.754 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -128.97 160.82 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 126.03 1.732 . . . . 0.0 111.019 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 124.041 0.936 . . . . 0.0 112.037 -176.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 121.652 0.739 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -150.4 156.36 41.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.436 2.294 . . . . 0.0 109.481 170.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.74 -178.51 4.06 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.351 1.06 . . . . 0.0 112.729 -170.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -121.96 134.42 54.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.064 1.345 . . . . 0.0 111.536 165.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.6 t -92.44 143.19 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.55 1.14 . . . . 0.0 109.878 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -140.93 143.23 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 126.795 2.038 . . . . 0.0 110.872 178.464 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -142.22 153.25 43.84 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 112.537 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.3 mt -131.11 123.27 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.714 1.605 . . . . 0.0 108.241 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.02 168.4 32.59 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.57 1.081 . . . . 0.0 113.547 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 55.32 36.77 27.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.672 1.589 . . . . 0.0 113.92 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.2 125.93 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.143 1.777 . . . . 0.0 111.783 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tt -96.12 -36.02 11.13 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 125.168 1.387 . . . . 0.0 111.907 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -151.59 156.08 39.74 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.146 0.979 . . . . 0.0 113.454 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -139.62 140.86 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.611 1.964 . . . . 0.0 109.912 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 mtp85 -130.52 137.66 49.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.916 1.687 . . . . 0.0 112.111 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.39 120.59 33.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 109.82 161.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -94.59 -179.65 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.125 1.77 . . . . 0.0 110.955 172.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.8 86.63 0.12 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 120.996 -1.065 . . . . 0.0 111.813 168.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 21.7 43.92 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.872 1.701 . . . . 0.0 115.594 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.86 165.14 37.38 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.228 1.514 . . . . 0.0 112.776 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -114.84 144.28 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.724 1.21 . . . . 0.0 111.11 166.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -123.89 145.92 48.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.066 1.746 . . . . 0.0 110.937 171.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.9 t -135.59 136.14 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.376 1.87 . . . . 0.0 109.536 -173.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -130.82 126.72 37.02 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.888 0.875 . . . . 0.0 111.438 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -78.21 166.33 22.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.079 0.952 . . . . 0.0 113.014 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.81 -31.01 66.19 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.685 1.194 . . . . 0.0 111.844 172.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -86.66 13.65 8.29 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.154 1.782 . . . . 0.0 113.871 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 63.01 20.37 12.25 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.873 2.069 . . . . 0.0 115.482 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.23 127.93 34.3 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.353 -1.467 . . . . 0.0 110.122 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -102.61 141.69 35.01 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.613 1.165 . . . . 0.0 112.356 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -135.18 149.7 49.99 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.913 1.685 . . . . 0.0 110.228 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.87 143.23 33.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.532 1.133 . . . . 0.0 112.493 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -141.23 103.82 6.08 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.118 1.367 . . . . 0.0 111.423 -172.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 147.57 59.25 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 122.5 2.133 . . . . 0.0 112.102 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 6.14 89.34 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.384 1.469 . . . . 0.0 114.84 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.1 mt -106.6 163.78 12.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.714 1.206 . . . . 0.0 112.44 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.55 160.55 39.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.27 2.228 . . . . 0.0 110.19 167.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.74 122.05 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.394 -0.817 . . . . 0.0 108.844 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.6 -72.82 1.18 Allowed Glycine 0 CA--C 1.522 0.512 0 C-N-CA 124.444 1.021 . . . . 0.0 113.097 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -136.99 143.31 42.72 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.226 1.01 . . . . 0.0 111.833 -174.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.28 111.76 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.819 1.648 . . . . 0.0 109.473 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.8 109.78 21.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.009 1.324 . . . . 0.0 109.557 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -51.48 17.53 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.904 -0.497 . . . . 0.0 111.35 -175.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -23.55 65.62 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -91.97 -17.87 24.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.181 1.392 . . . . 0.0 113.821 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.02 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.381 1.467 . . . . 0.0 113.833 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.41 136.56 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.761 1.28 . . . . 0.0 111.889 -175.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.4 mt -127.03 112.98 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.665 1.586 . . . . 0.0 109.327 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.2 m -97.57 124.72 41.93 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.039 1.335 . . . . 0.0 111.101 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -88.83 156.33 19.01 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.998 0.919 . . . . 0.0 112.074 174.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.94 162.27 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.016 1.727 . . . . 0.0 111.213 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 123.941 0.896 . . . . 0.0 111.293 178.616 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ppp? . . . . . 0 C--O 1.237 0.403 0 CA-C-O 121.296 0.569 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.96 173.32 11.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.203 1.001 . . . . 0.0 112.42 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -103.2 143.8 32.15 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.011 0.924 . . . . 0.0 110.534 158.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t -98.89 138.78 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.154 . . . . 0.0 109.682 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -134.95 142.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.747 1.219 . . . . 0.0 111.762 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 126.175 1.79 . . . . 0.0 110.65 176.248 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -140.41 140.37 35.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.022 1.329 . . . . 0.0 111.489 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mt -126.01 122.07 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 125.419 1.488 . . . . 0.0 108.29 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.84 168.44 31.58 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.592 1.092 . . . . 0.0 114.001 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 57.31 35.16 25.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.293 1.437 . . . . 0.0 114.571 171.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -74.63 129.18 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.102 1.761 . . . . 0.0 111.172 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -97.14 -26.22 15.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.937 1.295 . . . . 0.0 112.629 174.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -156.14 153.58 29.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -137.34 140.17 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.487 1.915 . . . . 0.0 109.834 176.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -134.84 127.87 31.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.781 1.233 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.21 131.09 35.49 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.8 0.84 . . . . 0.0 110.119 159.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -111.54 13.31 21.34 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.88 1.272 . . . . 0.0 113.301 -168.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.35 45.45 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.716 1.151 . . . . 0.0 114.302 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.1 -13.96 0.11 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.621 1.581 . . . . 0.0 114.342 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.44 168.88 22.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.845 2.058 . . . . 0.0 110.037 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.13 159.95 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 162.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -131.96 144.26 50.69 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.058 2.143 . . . . 0.0 110.165 176.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -134.92 131.72 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.868 2.067 . . . . 0.0 109.693 -175.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 91.7 m -131.45 130.8 42.94 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.727 0.694 . . . . 0.0 112.327 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.6 p -102.22 165.4 11.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.348 1.459 . . . . 0.0 113.135 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.84 -10.97 42.83 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -81.02 3.58 22.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.88 1.272 . . . . 0.0 113.397 174.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 t0 61.71 19.74 10.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.678 1.991 . . . . 0.0 113.693 -170.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -89.07 142.34 27.73 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.992 1.317 . . . . 0.0 111.463 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -126.3 142.3 51.58 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.464 1.506 . . . . 0.0 111.026 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -129.43 145.89 51.36 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.412 1.885 . . . . 0.0 110.099 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.84 143.96 35.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.712 0.805 . . . . 0.0 112.776 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -142.26 104.15 5.57 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 124.553 1.141 . . . . 0.0 111.275 -170.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.73 146.99 95.28 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.5 2.8 . . . . 0.0 113.347 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.62 4.33 80.85 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.855 1.102 . . . . 0.0 115.855 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.61 166.75 11.52 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.238 1.519 . . . . 0.0 112.836 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.68 160.98 40.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -77.17 119.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.529 -0.732 . . . . 0.0 109.138 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.86 -42.64 3.78 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.338 0.97 . . . . 0.0 114.044 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -150.37 147.93 28.19 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.39 1.076 . . . . 0.0 111.916 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.65 132.93 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.015 1.726 . . . . 0.0 109.925 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.59 109.71 11.6 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.98 1.712 . . . . 0.0 109.988 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.42 -41.18 48.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.08 0.952 . . . . 0.0 112.454 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -62.5 -48.86 77.73 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.29 1.036 . . . . 0.0 111.094 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -75.06 -23.4 58.07 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.65 1.18 . . . . 0.0 113.274 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.35 46.06 43.91 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.856 1.217 . . . . 0.0 113.01 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.62 139.1 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.691 1.196 . . . . 0.0 112.01 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -128.84 123.74 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.147 1.779 . . . . 0.0 108.46 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -104.89 125.87 51.37 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.062 0.945 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.38 150.03 20.72 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.9 1.28 . . . . 0.0 111.573 173.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.14 157.72 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.09 1.756 . . . . 0.0 110.644 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 123.872 0.869 . . . . 0.0 109.148 173.639 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 CA--C 1.546 0.82 0 CA-C-O 121.747 0.784 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 167.79 21.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 110.791 165.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.15 175.04 9.9 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.969 1.308 . . . . 0.0 111.461 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.58 141.78 35.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.257 0.623 . . . . 0.0 111.238 158.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.79 142.67 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.965 0.906 . . . . 0.0 109.316 162.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 p -132.57 138.44 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.281 1.432 . . . . 0.0 110.7 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 125.474 1.51 . . . . 0.0 111.568 -177.055 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 121.008 0.432 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.76 150.39 50.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.961 1.305 . . . . 0.0 111.81 171.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.5 mt -127.76 122.34 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.864 1.666 . . . . 0.0 108.327 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.93 166.21 32.38 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.194 0.902 . . . . 0.0 113.739 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 54.4 36.41 25.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.103 1.361 . . . . 0.0 113.889 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.13 129.4 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.084 1.354 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.0 -39.19 8.26 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.3 1.84 . . . . 0.0 111.075 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -155.25 161.99 41.0 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.65 138.19 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.556 1.943 . . . . 0.0 109.661 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -127.8 127.74 44.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.727 1.611 . . . . 0.0 110.9 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.12 138.3 31.54 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.835 0.854 . . . . 0.0 111.981 172.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -107.6 173.4 6.34 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.269 1.828 . . . . 0.0 110.597 168.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.15 45.64 1.17 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.874 1.226 . . . . 0.0 114.247 175.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.75 11.36 0.44 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.46 1.505 . . . . 0.0 115.881 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.19 168.9 25.85 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.432 1.616 . . . . 0.0 112.221 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.68 143.13 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.629 1.172 . . . . 0.0 111.421 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -120.89 143.69 48.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.705 2.002 . . . . 0.0 110.482 173.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.73 134.32 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.816 1.647 . . . . 0.0 109.728 -171.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -125.35 131.21 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.321 1.048 . . . . 0.0 111.109 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -90.33 166.68 13.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.125 0.97 . . . . 0.0 113.132 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.97 -23.36 53.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.644 1.977 . . . . 0.0 112.936 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -107.5 23.02 15.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.15 1.78 . . . . 0.0 113.071 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 62.46 20.14 11.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.897 2.079 . . . . 0.0 115.665 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -74.39 145.39 43.79 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.712 -1.243 . . . . 0.0 110.321 165.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -123.78 139.98 53.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.162 0.985 . . . . 0.0 111.571 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -132.39 147.96 52.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.564 1.545 . . . . 0.0 109.64 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 143.11 31.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.324 0.65 . . . . 0.0 112.386 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.68 103.85 5.86 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.871 1.268 . . . . 0.0 111.756 -168.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.5 145.93 54.24 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.002 2.468 . . . . 0.0 112.218 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.2 -3.07 87.48 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.542 1.544 . . . . 0.0 114.416 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.6 mt -94.21 162.91 13.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.798 1.299 . . . . 0.0 113.17 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.06 157.11 47.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.706 2.403 . . . . 0.0 110.074 165.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.57 114.89 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.2 -73.64 1.28 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.33 0.967 . . . . 0.0 112.813 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -141.24 148.31 39.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.808 1.243 . . . . 0.0 111.518 -171.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.78 139.51 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.568 1.547 . . . . 0.0 109.979 -169.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -143.38 99.28 3.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.417 1.487 . . . . 0.0 110.05 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -73.51 -28.99 62.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.146 1.378 . . . . 0.0 112.232 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -66.15 -40.49 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.015 1.726 . . . . 0.0 111.319 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -83.04 -30.16 28.28 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.073 1.349 . . . . 0.0 113.066 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.13 40.86 8.34 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.219 1.39 . . . . 0.0 113.177 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -131.39 139.59 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.981 1.312 . . . . 0.0 111.974 -169.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.8 mt -125.53 120.0 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 126.485 1.914 . . . . 0.0 108.59 170.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -105.19 121.74 44.47 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.036 1.335 . . . . 0.0 110.902 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -95.1 147.67 23.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.53 1.132 . . . . 0.0 110.964 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.95 157.7 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.233 1.413 . . . . 0.0 111.33 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 N--CA 1.475 0.804 0 C-N-CA 123.477 0.711 . . . . 0.0 110.78 179.468 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 ppp? . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 120.994 0.426 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.66 178.53 7.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.848 0.859 . . . . 0.0 112.345 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -123.31 141.69 51.72 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 125.088 1.355 . . . . 0.0 111.564 163.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.69 142.71 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.816 0.846 . . . . 0.0 109.746 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.7 136.53 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.676 1.19 . . . . 0.0 111.232 173.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.639 0 C-N-CA 125.558 1.543 . . . . 0.0 111.953 -177.167 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.901 0.381 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -123.17 146.53 47.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.962 1.305 . . . . 0.0 111.374 169.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 75.7 mt -129.29 113.41 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.546 1.538 . . . . 0.0 109.037 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.78 173.98 40.55 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.421 1.01 . . . . 0.0 114.853 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 56.31 34.45 24.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.417 1.887 . . . . 0.0 114.156 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.27 129.54 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.507 1.123 . . . . 0.0 110.941 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -100.52 -27.3 13.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.11 147.83 26.27 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.194 0.907 . . . . 0.0 113.185 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -140.36 143.63 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.192 1.797 . . . . 0.0 109.604 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -136.11 130.3 33.15 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.594 1.158 . . . . 0.0 111.258 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.83 129.69 34.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.431 0.634 . . . . 0.0 109.662 157.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.34 22.12 14.55 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.696 1.998 . . . . 0.0 111.703 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.45 -80.88 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.066 1.794 . . . . 0.0 111.755 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.58 90.51 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.367 0.984 . . . . 0.0 115.16 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.08 171.72 19.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.773 1.629 . . . . 0.0 110.856 -174.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 m -119.26 161.86 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.231 0.612 . . . . 0.0 112.545 158.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -131.05 147.52 52.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.213 2.205 . . . . 0.0 111.411 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 83.6 t -136.54 129.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.566 1.946 . . . . 0.0 108.907 -173.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.7 m -128.35 133.13 48.6 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.442 1.019 . . . . 0.0 112.395 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.7 p -91.53 167.14 12.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.424 1.489 . . . . 0.0 114.14 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -51.87 -26.95 11.2 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.771 2.428 . . . . 0.0 113.954 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -101.24 15.05 30.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.683 1.593 . . . . 0.0 113.92 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t0 61.78 14.95 6.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.997 2.119 . . . . 0.0 115.143 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -78.74 147.56 33.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.663 -1.273 . . . . 0.0 110.381 162.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.73 159.19 39.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.836 0.854 . . . . 0.0 113.248 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -132.55 152.57 51.54 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.088 2.155 . . . . 0.0 109.661 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 137.41 28.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.178 0.991 . . . . 0.0 112.145 -175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.91 98.69 7.67 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.361 1.065 . . . . 0.0 111.997 -171.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -61.0 144.54 99.59 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.262 2.641 . . . . 0.0 112.428 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.52 82.46 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 115.375 0.91 . . . . 0.0 115.375 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 81.1 mt -113.21 161.82 16.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 0.0 111.715 170.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.93 44.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.862 2.065 . . . . 0.0 110.901 172.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.9 121.34 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.318 -0.864 . . . . 0.0 109.685 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.62 -40.91 3.75 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.056 1.312 . . . . 0.0 113.828 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -150.42 145.53 26.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.634 1.174 . . . . 0.0 111.972 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -128.19 126.53 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.704 1.602 . . . . 0.0 108.305 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -131.92 106.88 8.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.201 1.0 . . . . 0.0 110.599 -173.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.12 -21.64 39.7 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.462 1.105 . . . . 0.0 112.355 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -64.52 -45.43 87.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 110.766 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.2 t -92.56 -26.5 17.87 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.666 1.187 . . . . 0.0 113.287 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.88 44.93 13.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.015 0.817 . . . . 0.0 112.223 -172.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.3 t -131.02 140.07 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.627 1.171 . . . . 0.0 112.009 -172.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.6 mt -123.89 113.27 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.446 . . . . 0.0 108.062 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -98.62 129.25 45.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.187 0.995 . . . . 0.0 111.48 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.46 151.59 21.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.472 1.109 . . . . 0.0 112.695 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.91 157.75 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.324 1.85 . . . . 0.0 111.296 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 112.009 -178.432 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.7 m . . . . . 0 CA--C 1.541 0.616 0 CA-C-O 121.414 0.626 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.19 171.17 20.25 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.701 1.6 . . . . 0.0 111.142 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.75 -170.5 2.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.834 1.254 . . . . 0.0 112.391 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -122.86 132.43 54.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 110.939 161.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.74 143.89 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.106 1.363 . . . . 0.0 109.851 170.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -137.09 140.83 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.974 0.909 . . . . 0.0 111.878 169.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 126.942 2.097 . . . . 0.0 110.673 -178.279 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.71 134.21 30.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.863 1.265 . . . . 0.0 110.557 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.14 108.44 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.963 1.305 . . . . 0.0 109.3 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.4 164.95 47.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.521 1.058 . . . . 0.0 113.978 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 55.45 35.12 24.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.865 1.666 . . . . 0.0 114.713 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -69.1 125.78 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.047 -1.033 . . . . 0.0 110.217 170.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.2 mt -90.11 -35.46 15.42 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.68 0.792 . . . . 0.0 111.608 171.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -155.75 156.36 34.69 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 t -139.69 150.83 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.339 1.855 . . . . 0.0 110.081 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -127.53 144.22 51.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.371 1.868 . . . . 0.0 110.782 170.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.88 129.72 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.131 0.972 . . . . 0.0 110.813 166.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -102.74 172.56 6.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.351 1.86 . . . . 0.0 110.548 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.87 61.06 0.95 Allowed Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.12 1.343 . . . . 0.0 113.923 174.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.66 5.32 1.73 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.907 1.718 . . . . 0.0 115.895 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.95 167.54 27.75 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.587 1.694 . . . . 0.0 112.856 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -124.79 154.42 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.044 0.938 . . . . 0.0 112.988 162.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -133.53 122.27 23.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.487 1.915 . . . . 0.0 110.098 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -110.73 136.72 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.066 2.146 . . . . 0.0 110.122 -173.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -127.75 127.84 44.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.62 0.768 . . . . 0.0 112.436 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -93.03 167.22 11.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.937 1.295 . . . . 0.0 113.722 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -53.27 -30.08 36.54 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.182 1.793 . . . . 0.0 113.255 171.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -85.23 10.08 13.38 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.749 1.62 . . . . 0.0 113.381 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 62.81 15.38 8.15 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.937 2.095 . . . . 0.0 114.902 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.33 139.5 39.78 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.322 -0.861 . . . . 0.0 111.275 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -113.93 138.12 50.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.066 1.347 . . . . 0.0 111.319 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -133.42 124.93 27.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.204 1.402 . . . . 0.0 109.751 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.91 139.98 50.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.848 0.859 . . . . 0.0 112.167 -173.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -138.51 93.6 11.06 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.11 1.364 . . . . 0.0 111.549 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -61.89 145.58 96.9 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.688 2.925 . . . . 0.0 112.445 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.2 86.75 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.792 1.187 . . . . 0.0 115.087 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.9 mt -105.94 160.33 15.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.895 1.278 . . . . 0.0 111.914 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.78 160.43 39.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.96 2.504 . . . . 0.0 110.558 172.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.2 115.49 15.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.442 0.697 . . . . 0.0 109.328 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.65 -38.47 4.69 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.086 1.327 . . . . 0.0 114.037 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -143.23 145.31 32.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.44 1.496 . . . . 0.0 111.731 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.69 121.09 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.783 1.233 . . . . 0.0 108.462 160.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -110.44 95.68 5.72 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.762 1.625 . . . . 0.0 109.842 174.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.11 -38.17 87.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.844 0.858 . . . . 0.0 111.522 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -66.01 -40.47 91.11 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.558 1.543 . . . . 0.0 112.988 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -88.94 -22.33 23.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.45 44.6 32.95 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.257 0.932 . . . . 0.0 113.043 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -134.92 142.2 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.732 1.213 . . . . 0.0 112.1 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.25 134.42 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.884 1.674 . . . . 0.0 108.1 170.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -121.27 132.24 54.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.021 0.928 . . . . 0.0 111.515 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.53 143.15 33.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.596 1.158 . . . . 0.0 111.72 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.42 157.52 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.129 1.772 . . . . 0.0 111.649 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 123.802 0.841 . . . . 0.0 112.574 -176.721 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.843 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.2 -176.65 3.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.531 1.133 . . . . 0.0 112.101 -172.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -113.39 146.05 40.13 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.791 0.836 . . . . 0.0 111.835 159.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.49 141.83 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 109.402 167.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.89 139.9 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.182 1.393 . . . . 0.0 110.659 167.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 124.861 1.264 . . . . 0.0 111.83 179.439 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -123.36 146.68 47.76 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.37 1.468 . . . . 0.0 112.139 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.6 mt -130.15 120.56 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.357 1.463 . . . . 0.0 108.427 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.97 165.64 30.65 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.094 0.854 . . . . 0.0 114.354 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 52.05 42.48 30.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.968 1.707 . . . . 0.0 114.401 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.4 123.11 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.126 1.771 . . . . 0.0 110.854 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.52 -33.32 20.34 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.267 1.427 . . . . 0.0 112.693 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -162.81 149.5 12.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.218 1.007 . . . . 0.0 113.207 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.8 t -132.2 133.89 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.897 2.079 . . . . 0.0 110.298 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.62 137.94 51.8 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.962 1.705 . . . . 0.0 110.747 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.11 124.19 41.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.462 0.705 . . . . 0.0 110.431 161.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -89.49 179.16 6.12 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.673 1.589 . . . . 0.0 111.42 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.73 -13.26 50.94 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.787 -1.195 . . . . 0.0 115.505 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.86 24.73 0.26 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.188 1.375 . . . . 0.0 115.035 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.35 169.28 24.36 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.84 1.32 . . . . 0.0 112.313 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -121.15 144.47 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.519 1.127 . . . . 0.0 110.962 167.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -122.09 145.81 47.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.615 1.966 . . . . 0.0 110.964 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.81 131.05 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.713 1.605 . . . . 0.0 110.24 -173.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -123.57 132.51 53.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.214 1.006 . . . . 0.0 112.068 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -100.75 166.5 10.84 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.618 1.167 . . . . 0.0 114.116 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 tp -53.93 -26.07 23.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.29 2.236 . . . . 0.0 113.962 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -103.53 21.96 15.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.107 1.363 . . . . 0.0 113.216 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t0 60.88 23.55 13.58 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.67 1.988 . . . . 0.0 115.01 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.29 148.27 27.47 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.966 -1.084 . . . . 0.0 110.629 166.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -128.6 136.41 50.66 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.489 1.116 . . . . 0.0 111.253 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -123.9 146.36 48.49 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.921 1.688 . . . . 0.0 109.591 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.39 140.68 37.49 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.875 0.87 . . . . 0.0 112.645 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.56 107.95 7.17 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 125.095 1.358 . . . . 0.0 111.637 -169.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.8 146.45 48.19 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.851 2.367 . . . . 0.0 112.248 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.74 4.07 84.67 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.421 1.486 . . . . 0.0 115.378 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 mt -91.07 164.21 14.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.751 1.275 . . . . 0.0 112.438 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.12 156.59 45.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.238 2.215 . . . . 0.0 110.615 165.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -73.22 110.39 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.26 -40.82 4.43 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.76 1.171 . . . . 0.0 114.203 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -144.87 148.33 33.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.754 1.222 . . . . 0.0 111.559 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -134.56 133.73 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.529 1.532 . . . . 0.0 109.022 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -143.55 97.12 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.35 1.46 . . . . 0.0 109.75 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.0 mt -77.68 -18.58 56.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.191 1.396 . . . . 0.0 112.908 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -70.88 -45.2 64.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.253 1.421 . . . . 0.0 110.164 173.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -82.91 -23.81 33.37 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.819 1.247 . . . . 0.0 113.3 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.04 43.17 14.33 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.231 1.396 . . . . 0.0 113.238 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.28 139.08 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.509 1.523 . . . . 0.0 112.07 -173.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 66.6 mt -124.54 130.67 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.619 1.968 . . . . 0.0 109.094 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -112.33 126.31 55.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.305 1.042 . . . . 0.0 111.066 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.23 145.52 27.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.304 1.041 . . . . 0.0 111.371 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.54 155.62 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.865 1.666 . . . . 0.0 111.121 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 . . . . . 0 N--CA 1.471 0.615 0 C-N-CA 124.246 1.018 . . . . 0.0 110.408 178.201 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 CA-C-O 118.999 -0.889 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -58.75 158.07 25.67 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.992 3.128 . . . . 0.0 114.8 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.37 118.93 5.68 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.086 0.851 . . . . 0.0 112.876 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 85.6 p -87.91 -10.15 51.47 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mmm -68.87 155.97 39.3 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.614 1.566 . . . . 0.0 113.721 -175.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -140.68 161.61 37.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.909 1.683 . . . . 0.0 110.376 165.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 163.95 31.43 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.813 1.645 . . . . 0.0 110.203 171.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.86 172.08 10.71 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.942 0.897 . . . . 0.0 112.558 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -100.86 152.06 20.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.526 0.73 . . . . 0.0 111.232 156.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.3 t -111.07 140.24 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.817 1.247 . . . . 0.0 109.321 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 p -128.76 138.1 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.959 1.303 . . . . 0.0 111.626 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.74 169.36 24.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.927 1.691 . . . . 0.0 111.249 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.3 m -131.7 132.3 43.81 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.769 0.828 . . . . 0.0 111.174 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -69.92 162.64 27.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.338 1.455 . . . . 0.0 112.167 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.12 -23.01 67.25 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.185 0.994 . . . . 0.0 113.139 171.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -78.28 -1.88 35.25 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.349 1.46 . . . . 0.0 113.646 172.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.18 4.6 89.64 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.305 1.431 . . . . 0.0 114.494 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.49 123.09 6.61 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.373 0.987 . . . . 0.0 112.638 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -73.98 138.53 44.21 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.067 0.947 . . . . 0.0 111.074 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -134.4 140.75 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.465 1.506 . . . . 0.0 110.522 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -140.16 137.26 34.27 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.897 1.679 . . . . 0.0 110.674 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -127.72 125.35 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.449 1.499 . . . . 0.0 108.634 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.1 169.8 26.94 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.464 1.03 . . . . 0.0 114.301 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 54.41 35.05 22.2 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.698 1.599 . . . . 0.0 114.196 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.87 125.84 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.609 1.164 . . . . 0.0 110.91 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -90.92 -41.97 10.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.61 1.964 . . . . 0.0 111.256 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -154.98 157.02 37.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.752 1.221 . . . . 0.0 112.837 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.0 139.15 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.114 1.766 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -135.79 124.45 23.77 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.89 1.276 . . . . 0.0 110.985 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.44 109.71 20.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.347 1.059 . . . . 0.0 110.06 168.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -81.0 174.41 11.65 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.772 1.229 . . . . 0.0 111.177 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.01 42.28 0.6 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.645 1.593 . . . . 0.0 115.151 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.86 -1.01 0.09 OUTLIER Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.234 1.397 . . . . 0.0 116.443 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.07 155.55 29.46 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.599 1.56 . . . . 0.0 112.351 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.5 136.08 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.745 0.818 . . . . 0.0 110.97 166.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -113.21 143.58 44.14 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.718 2.007 . . . . 0.0 110.727 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.78 126.2 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 109.403 -174.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -121.43 132.73 54.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.215 1.006 . . . . 0.0 110.961 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.8 p -88.7 163.84 15.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 122.329 1.062 . . . . 0.0 113.419 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.1 tp -56.86 -24.9 54.91 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.411 2.284 . . . . 0.0 112.987 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.2 23.05 15.05 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.287 1.835 . . . . 0.0 113.196 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 62.02 28.72 17.4 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.704 2.001 . . . . 0.0 115.136 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.5 157.04 18.26 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.947 -1.095 . . . . 0.0 110.429 162.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -139.13 143.26 38.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.422 1.089 . . . . 0.0 112.383 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -129.78 149.18 51.63 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.877 2.071 . . . . 0.0 110.099 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 141.34 30.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.972 0.909 . . . . 0.0 112.659 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -141.29 105.05 6.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.316 1.446 . . . . 0.0 111.365 -168.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.99 147.09 60.63 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.665 2.243 . . . . 0.0 112.108 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 16.04 80.98 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 115.229 0.852 . . . . 0.0 115.229 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -107.28 162.76 13.61 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 112.447 171.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 160.46 39.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.914 2.086 . . . . 0.0 109.965 166.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.4 mt -77.56 122.28 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.005 -1.059 . . . . 0.0 109.709 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.21 -44.78 2.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.724 1.631 . . . . 0.0 114.822 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -142.27 151.02 41.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.052 1.341 . . . . 0.0 112.814 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -137.47 106.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 126.139 1.775 . . . . 0.0 108.569 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -113.87 87.54 2.64 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.116 1.366 . . . . 0.0 110.349 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.87 -32.41 73.93 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.172 0.989 . . . . 0.0 111.941 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 ttm105 -56.24 -35.47 67.42 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.0 1.32 . . . . 0.0 112.623 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -106.03 -18.18 14.11 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.587 1.555 . . . . 0.0 114.029 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.86 37.48 50.85 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.6 1.095 . . . . 0.0 113.546 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.8 t -124.55 133.0 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.329 1.052 . . . . 0.0 111.975 -172.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.3 mt -119.43 133.0 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 108.669 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -122.86 127.49 49.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.96 0.904 . . . . 0.0 111.244 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 mt -100.31 150.01 23.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.976 1.311 . . . . 0.0 112.199 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.99 157.82 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.444 1.898 . . . . 0.0 110.855 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -71.95 120.73 17.96 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.845 0.858 . . . . 0.0 111.727 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 65' ' ' ASN . 46.1 tt0 -64.73 129.74 40.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.023 1.329 . . . . 0.0 112.016 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -99.6 5.74 45.88 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.82 1.248 . . . . 0.0 113.398 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.429 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 63.0 t30 -96.34 12.43 31.18 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.876 2.07 . . . . 0.0 113.689 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.129 1.772 . . . . 0.0 112.865 -175.881 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 CA-C-O 119.567 -0.574 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -66.02 -19.36 57.72 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.994 3.129 . . . . 0.0 115.623 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 78.69 -166.71 52.36 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.525 1.06 . . . . 0.0 113.209 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 33.4 t -68.81 122.5 18.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.611 0.764 . . . . 0.0 112.134 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm -160.76 168.35 24.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.789 2.036 . . . . 0.0 110.396 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.02 153.15 47.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.039 0.935 . . . . 0.0 111.833 168.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.8 ptm -157.0 159.77 38.35 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.988 2.115 . . . . 0.0 109.732 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -146.38 -178.55 6.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.716 0.807 . . . . 0.0 113.013 -169.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -122.03 142.5 50.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.753 1.221 . . . . 0.0 112.289 167.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -97.32 139.32 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.821 1.248 . . . . 0.0 109.894 174.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -126.35 141.29 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.163 1.385 . . . . 0.0 110.856 168.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -149.91 169.21 21.69 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.756 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.4 m -129.16 129.72 45.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.13 0.972 . . . . 0.0 110.993 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -69.9 165.73 21.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.689 1.595 . . . . 0.0 112.858 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.79 67.0 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.219 1.008 . . . . 0.0 113.054 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -70.54 -9.4 56.65 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.965 1.706 . . . . 0.0 113.969 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.67 6.3 89.44 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.419 1.485 . . . . 0.0 114.27 -170.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.72 131.93 10.73 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.604 1.097 . . . . 0.0 112.784 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -76.44 143.48 40.53 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.524 -0.986 . . . . 0.0 111.426 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -137.34 142.02 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 126.259 1.824 . . . . 0.0 109.636 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.24 139.49 35.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.721 1.209 . . . . 0.0 111.62 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.0 mt -130.51 119.14 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.58 1.952 . . . . 0.0 109.602 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.3 168.21 36.55 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.386 0.993 . . . . 0.0 114.531 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 56.94 34.57 25.08 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.027 1.731 . . . . 0.0 115.18 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.68 133.26 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.33 1.852 . . . . 0.0 111.299 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -107.44 -22.62 12.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.913 1.285 . . . . 0.0 113.863 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -155.22 151.66 28.39 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -134.35 137.67 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.823 2.049 . . . . 0.0 109.285 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -133.51 131.72 40.14 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.709 1.204 . . . . 0.0 111.453 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.78 110.39 21.73 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.785 0.834 . . . . 0.0 110.236 167.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.2 173.74 11.84 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.212 1.405 . . . . 0.0 111.285 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.84 43.43 0.78 Allowed Glycine 0 CA--C 1.544 1.858 0 C-N-CA 125.722 1.629 . . . . 0.0 115.413 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.19 -1.99 0.19 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.925 1.25 . . . . 0.0 115.887 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.76 162.16 40.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.39 1.595 . . . . 0.0 112.295 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.89 134.87 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.508 0.723 . . . . 0.0 110.933 164.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -106.41 146.25 30.72 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.062 2.145 . . . . 0.0 111.0 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -138.44 133.46 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.122 1.769 . . . . 0.0 109.574 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -131.18 132.05 44.46 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 0.82 . . . . 0.0 112.345 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.3 p -91.31 167.66 12.14 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -53.96 -30.74 48.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.354 2.262 . . . . 0.0 113.111 169.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -96.52 18.47 14.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.172 1.389 . . . . 0.0 113.122 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 60.8 25.48 15.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.649 1.98 . . . . 0.0 114.734 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -81.02 126.75 31.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.155 -0.966 . . . . 0.0 109.302 166.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -104.59 138.13 41.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.223 1.009 . . . . 0.0 111.207 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.29 146.59 50.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.975 1.71 . . . . 0.0 109.343 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.47 140.48 30.38 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.631 0.772 . . . . 0.0 112.303 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.6 109.91 8.73 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 125.222 1.409 . . . . 0.0 111.378 -170.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -71.04 146.69 52.93 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.976 2.451 . . . . 0.0 112.381 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.28 7.54 87.77 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.941 1.258 . . . . 0.0 115.319 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.86 164.99 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.084 1.442 . . . . 0.0 113.112 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.62 158.36 44.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.901 2.081 . . . . 0.0 110.566 166.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.4 mt -77.96 120.75 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.466 -0.771 . . . . 0.0 109.461 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.31 -51.14 1.62 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.934 1.254 . . . . 0.0 114.471 -172.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -145.92 148.23 32.58 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.755 1.222 . . . . 0.0 112.013 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.25 135.45 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.613 1.965 . . . . 0.0 109.128 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -139.46 111.26 7.27 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 110.316 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -84.94 -20.61 30.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.452 1.101 . . . . 0.0 112.485 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -69.11 -49.84 53.48 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.162 1.385 . . . . 0.0 110.425 171.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.8 m -82.64 -23.27 34.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.32 48.61 29.98 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.928 0.775 . . . . 0.0 112.339 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.0 t -133.98 140.44 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.716 1.207 . . . . 0.0 111.374 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.76 133.77 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.601 1.56 . . . . 0.0 109.479 167.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.51 126.91 55.47 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.676 1.19 . . . . 0.0 111.258 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.7 151.27 20.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.088 1.355 . . . . 0.0 111.831 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.43 158.48 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.671 1.588 . . . . 0.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -77.56 120.92 23.19 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.902 0.881 . . . . 0.0 110.883 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.23 146.0 45.79 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.273 1.429 . . . . 0.0 111.832 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -120.36 5.7 10.69 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -168.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -82.79 -31.03 28.44 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.517 1.127 . . . . 0.0 111.294 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 126.899 2.08 . . . . 0.0 114.088 172.154 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -65.18 -17.91 59.9 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 124.099 3.2 . . . . 0.0 116.168 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 80.21 -169.1 52.52 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.425 1.012 . . . . 0.0 113.103 -172.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 40.9 m -63.8 132.07 49.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.196 0.999 . . . . 0.0 112.853 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm -89.76 159.76 16.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.199 1.4 . . . . 0.0 112.806 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t -138.91 146.58 41.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.13 1.372 . . . . 0.0 110.381 164.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.75 164.56 30.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.635 1.574 . . . . 0.0 110.574 170.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.78 -175.69 4.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.424 1.089 . . . . 0.0 111.6 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -120.19 145.38 47.04 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.803 0.841 . . . . 0.0 112.716 164.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -90.12 145.12 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.341 1.056 . . . . 0.0 110.369 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.19 137.8 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.102 1.361 . . . . 0.0 110.748 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.01 161.77 41.25 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.483 1.913 . . . . 0.0 110.464 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 m -133.47 132.26 40.85 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.218 0.607 . . . . 0.0 111.201 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -68.24 162.95 23.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.422 1.489 . . . . 0.0 112.987 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.37 -27.06 68.8 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.196 0.998 . . . . 0.0 113.274 172.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -75.56 -4.8 41.95 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.257 1.423 . . . . 0.0 113.659 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.36 6.85 80.51 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.783 1.659 . . . . 0.0 114.512 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.49 120.32 5.16 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 118.416 1.108 . . . . 0.0 112.259 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -78.64 145.27 34.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.732 0.813 . . . . 0.0 111.953 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.4 t -134.06 138.74 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 126.643 1.977 . . . . 0.0 109.653 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -136.71 146.2 45.58 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.911 1.285 . . . . 0.0 112.137 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.9 mt -130.46 120.55 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.86 1.664 . . . . 0.0 108.565 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 173.8 38.54 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.176 0.893 . . . . 0.0 114.452 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 55.8 35.84 26.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.052 1.741 . . . . 0.0 114.319 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.19 127.62 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.618 1.567 . . . . 0.0 111.975 -174.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.7 mt -90.21 -31.89 16.83 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.581 1.552 . . . . 0.0 112.974 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -155.78 151.89 27.79 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.7 137.82 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 127.322 2.249 . . . . 0.0 109.019 174.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -146.19 122.88 11.18 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.456 0.702 . . . . 0.0 112.81 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 139.04 36.51 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.56 0.695 . . . . 0.0 109.803 161.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -132.73 -169.49 2.26 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.566 1.946 . . . . 0.0 110.517 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.26 -12.71 25.52 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 117.184 1.633 . . . . 0.0 117.184 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.82 20.84 0.1 Allowed Glycine 0 CA--C 1.536 1.388 0 CA-C-N 119.107 1.453 . . . . 0.0 115.542 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.25 165.61 31.11 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.734 1.214 . . . . 0.0 112.021 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -107.84 140.24 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.396 0.678 . . . . 0.0 110.334 158.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -121.61 147.76 45.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.309 1.444 . . . . 0.0 111.371 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -138.51 126.81 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.835 1.654 . . . . 0.0 109.864 -169.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.8 m -121.72 133.08 54.94 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.76 0.824 . . . . 0.0 111.461 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.4 p -97.88 168.29 10.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.242 1.417 . . . . 0.0 114.207 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.78 -25.03 17.23 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.934 2.493 . . . . 0.0 114.334 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.3 17.73 23.49 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.344 1.458 . . . . 0.0 113.276 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 62.01 14.21 6.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.382 2.273 . . . . 0.0 114.983 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -76.32 145.63 39.41 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.758 -1.214 . . . . 0.0 110.391 165.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -132.39 143.99 50.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.313 1.045 . . . . 0.0 111.765 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -124.41 150.03 46.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.818 1.647 . . . . 0.0 110.236 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.68 35.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.737 1.215 . . . . 0.0 111.797 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -138.73 102.2 7.82 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 125.403 1.481 . . . . 0.0 110.844 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.66 144.37 65.79 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.678 2.252 . . . . 0.0 112.021 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.06 15.75 81.35 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.371 0.986 . . . . 0.0 115.34 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.88 164.06 12.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.989 1.394 . . . . 0.0 112.817 171.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.4 163.92 31.73 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.837 2.455 . . . . 0.0 109.957 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.6 mt -79.98 124.72 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.35 -40.34 3.25 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.768 1.175 . . . . 0.0 114.301 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.5 mtm-85 -142.96 151.8 41.3 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.187 0.995 . . . . 0.0 112.645 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -123.66 107.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 126.266 1.826 . . . . 0.0 107.307 164.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -104.44 61.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.724 2.01 . . . . 0.0 109.646 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.68 -21.9 66.85 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.993 1.317 . . . . 0.0 113.342 -172.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -54.64 -30.55 55.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.3 1.84 . . . . 0.0 112.691 167.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.6 m -115.3 -2.22 12.72 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.99 65.56 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.31 0.957 . . . . 0.0 113.996 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.37 141.98 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.903 1.351 . . . . 0.0 112.114 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.94 128.63 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.592 1.557 . . . . 0.0 109.502 171.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 m -110.11 129.56 55.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.594 1.157 . . . . 0.0 111.361 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.1 mt -99.99 153.81 18.89 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.423 1.089 . . . . 0.0 112.598 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.71 159.46 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.397 1.879 . . . . 0.0 111.084 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -72.09 126.1 28.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.493 1.117 . . . . 0.0 112.21 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -82.95 129.92 35.08 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.875 1.27 . . . . 0.0 113.077 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.1 31.59 1.57 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.248 1.819 . . . . 0.0 111.771 169.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -70.88 -34.57 71.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.471 1.909 . . . . 0.0 112.225 173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.008 1.723 . . . . 0.0 114.287 -177.213 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.78 158.12 59.1 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.136 3.224 . . . . 0.0 112.81 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.95 -6.75 83.09 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.856 1.217 . . . . 0.0 115.912 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 44.2 m 55.85 36.9 28.16 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.628 1.571 . . . . 0.0 114.01 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 80.1 mtp -67.33 143.99 56.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.548 1.139 . . . . 0.0 113.295 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 95.9 m -143.01 171.45 14.04 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.009 2.124 . . . . 0.0 109.399 162.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -139.78 155.73 47.14 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.251 0.62 . . . . 0.0 111.602 168.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.52 178.05 7.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.533 1.533 . . . . 0.0 111.707 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -109.97 141.71 42.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.276 0.631 . . . . 0.0 111.952 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.57 146.4 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.188 0.995 . . . . 0.0 110.54 167.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.97 134.59 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.53 1.132 . . . . 0.0 111.566 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -150.47 164.87 34.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.487 1.915 . . . . 0.0 110.661 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -137.28 132.82 34.26 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.806 0.842 . . . . 0.0 110.977 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.82 163.24 17.19 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.165 1.786 . . . . 0.0 112.936 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -26.73 68.31 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.16 0.984 . . . . 0.0 112.645 170.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -76.38 -4.26 41.36 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.075 1.75 . . . . 0.0 114.142 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.42 7.27 82.7 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.46 1.505 . . . . 0.0 114.585 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.91 114.15 3.91 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 118.606 1.203 . . . . 0.0 112.519 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -76.19 139.88 41.43 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.019 0.91 . . . . 0.0 111.204 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -136.08 136.63 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.747 2.019 . . . . 0.0 110.088 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -137.81 147.08 44.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.2 1.0 . . . . 0.0 111.838 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -129.93 121.69 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.484 1.514 . . . . 0.0 108.437 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 167.73 37.75 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.193 0.901 . . . . 0.0 114.507 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 55.27 35.87 25.83 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.963 1.705 . . . . 0.0 113.891 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.65 133.89 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.978 1.711 . . . . 0.0 111.276 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 41.2 mt -109.21 -22.07 12.27 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.308 1.443 . . . . 0.0 114.028 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -154.89 151.88 29.1 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.647 1.112 . . . . 0.0 113.763 168.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -137.29 130.49 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.641 1.976 . . . . 0.0 108.402 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -141.18 127.59 19.92 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.584 0.629 . . . . 0.0 111.717 -170.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.29 29.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.987 0.915 . . . . 0.0 111.644 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -134.18 -175.45 3.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.045 2.138 . . . . 0.0 110.304 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.42 77.0 0.19 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 113.73 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.35 14.94 24.64 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.671 1.605 . . . . 0.0 115.541 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.06 166.31 33.67 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.616 . . . . 0.0 113.557 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -122.29 136.95 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 125.643 1.577 . . . . 0.0 111.179 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -107.56 150.27 27.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.162 2.185 . . . . 0.0 111.248 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.45 133.09 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.496 1.918 . . . . 0.0 109.745 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -135.5 138.39 43.07 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.002 0.819 . . . . 0.0 112.87 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.5 p -98.86 170.47 8.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.43 -25.95 27.95 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.512 2.325 . . . . 0.0 113.934 169.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -104.06 17.26 24.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.384 1.474 . . . . 0.0 112.948 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 59.96 22.93 12.02 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.923 2.089 . . . . 0.0 114.846 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -74.16 136.41 42.86 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.63 166.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -115.95 139.38 50.3 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.985 0.914 . . . . 0.0 111.468 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -131.4 148.04 52.62 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.344 1.858 . . . . 0.0 109.666 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.95 143.85 32.14 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -138.89 113.93 8.46 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.226 1.411 . . . . 0.0 110.796 -171.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.95 149.15 41.54 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.869 2.379 . . . . 0.0 112.172 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.59 12.18 84.75 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.941 1.257 . . . . 0.0 115.416 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 60.7 mt -107.5 164.0 12.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.971 1.308 . . . . 0.0 112.97 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.74 163.29 33.0 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.693 2.397 . . . . 0.0 110.412 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.91 125.33 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.066 -1.021 . . . . 0.0 109.427 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.37 -65.03 0.9 Allowed Glycine 0 N--CA 1.47 0.932 0 C-N-CA 124.459 1.028 . . . . 0.0 113.616 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -143.13 150.59 39.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.396 1.079 . . . . 0.0 112.188 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.45 110.84 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.027 1.731 . . . . 0.0 109.559 -168.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.75 100.23 9.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.622 1.169 . . . . 0.0 110.374 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.94 -35.35 79.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.624 -0.672 . . . . 0.0 110.432 169.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -58.83 -28.29 65.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.408 1.883 . . . . 0.0 114.302 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.7 m -121.17 -12.15 8.73 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.48 43.61 44.34 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.664 1.126 . . . . 0.0 113.647 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.44 137.27 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 118.59 1.195 . . . . 0.0 112.335 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.26 111.46 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.161 1.785 . . . . 0.0 108.568 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 t -99.34 127.12 45.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.823 1.249 . . . . 0.0 111.708 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.29 150.36 23.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.596 1.558 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.93 158.07 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.741 1.617 . . . . 0.0 111.806 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.78 125.49 28.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.446 0.698 . . . . 0.0 111.941 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -91.09 145.66 24.5 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.49 1.916 . . . . 0.0 112.889 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -123.76 1.18 8.76 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.942 2.097 . . . . 0.0 113.516 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -66.59 -35.85 81.19 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.333 1.853 . . . . 0.0 113.293 -173.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.996 1.718 . . . . 0.0 111.865 -175.049 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 CA-C-O 119.723 -0.487 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -64.15 -24.14 66.26 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.896 3.064 . . . . 0.0 115.901 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 62.79 -122.52 28.03 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 121.041 -1.037 . . . . 0.0 112.622 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 79.2 p -73.83 -11.12 60.28 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.21 154.95 33.36 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.017 0.826 . . . . 0.0 113.229 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.3 t -130.82 156.4 45.07 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.311 1.844 . . . . 0.0 109.832 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -147.71 160.81 42.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.929 1.692 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.9 168.35 18.02 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -106.82 117.4 33.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.099 1.759 . . . . 0.0 110.745 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.98 141.36 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.988 0.515 . . . . 0.0 109.96 168.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -140.76 139.87 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.871 1.269 . . . . 0.0 112.553 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -151.06 163.38 38.9 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.517 2.327 . . . . 0.0 110.953 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.2 m -136.59 131.4 33.72 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.726 0.81 . . . . 0.0 111.904 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -71.41 160.12 33.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.668 1.587 . . . . 0.0 112.823 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -24.73 67.94 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.153 0.981 . . . . 0.0 113.12 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -74.08 -4.46 35.69 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.383 1.473 . . . . 0.0 113.624 171.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 4.28 78.01 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.649 1.595 . . . . 0.0 114.461 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.84 113.65 3.71 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.877 1.339 . . . . 0.0 112.445 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -74.94 141.0 44.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.459 1.103 . . . . 0.0 111.287 174.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -135.58 136.95 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.26 1.824 . . . . 0.0 109.245 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -142.05 152.88 43.77 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.079 0.952 . . . . 0.0 113.039 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -132.54 120.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.074 1.75 . . . . 0.0 108.333 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.94 175.53 41.76 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.632 1.111 . . . . 0.0 114.165 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.03 30.94 19.06 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.046 1.738 . . . . 0.0 114.162 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -76.14 125.33 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.462 1.105 . . . . 0.0 110.973 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -99.0 -20.41 16.76 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -152.74 153.14 32.61 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.669 1.122 . . . . 0.0 113.83 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.55 151.24 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.214 1.406 . . . . 0.0 111.199 168.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mtm105 -138.24 126.92 23.6 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.034 1.734 . . . . 0.0 110.488 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.4 106.62 18.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.46 1.104 . . . . 0.0 108.914 166.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -107.77 -170.04 1.62 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.348 1.859 . . . . 0.0 112.115 -169.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.33 75.6 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.732 1.634 . . . . 0.0 114.092 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.43 12.53 51.02 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.857 1.694 . . . . 0.0 115.469 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.05 153.27 25.71 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.056 1.428 . . . . 0.0 112.412 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.15 140.1 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.616 0.766 . . . . 0.0 110.554 164.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -122.22 149.26 43.92 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.352 1.461 . . . . 0.0 111.871 171.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.1 t -142.08 131.08 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.399 1.88 . . . . 0.0 109.265 -166.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.8 m -131.74 132.75 44.11 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.751 1.16 . . . . 0.0 112.711 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 p -84.48 172.18 11.91 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.26 -24.91 3.2 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.423 2.289 . . . . 0.0 114.04 165.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.57 16.94 25.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 112.786 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 61.11 18.81 9.39 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 115.25 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.64 119.02 21.31 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.024 -1.048 . . . . 0.0 109.997 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.33 140.34 31.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.8 0.84 . . . . 0.0 112.799 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -125.58 151.23 46.7 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.799 2.04 . . . . 0.0 109.907 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.46 140.73 39.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.959 0.904 . . . . 0.0 112.844 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -139.02 105.03 7.32 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 125.211 1.405 . . . . 0.0 111.066 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.2 149.39 57.69 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.129 2.553 . . . . 0.0 112.593 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.57 10.29 85.84 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.745 1.164 . . . . 0.0 115.519 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -105.31 163.06 12.9 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.933 1.366 . . . . 0.0 112.197 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.05 161.5 35.9 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.186 2.194 . . . . 0.0 110.003 165.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -76.68 118.66 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.94 -42.46 5.34 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.958 1.266 . . . . 0.0 113.358 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -143.16 155.21 44.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.983 . . . . 0.0 112.855 173.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.57 115.34 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.122 1.769 . . . . 0.0 107.089 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -131.11 97.45 4.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.476 1.111 . . . . 0.0 110.364 -169.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.16 -24.66 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.422 1.489 . . . . 0.0 112.066 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.07 -46.03 89.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.549 1.539 . . . . 0.0 110.567 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -77.44 -32.92 54.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.146 0.978 . . . . 0.0 112.804 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.67 29.04 40.6 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.307 1.432 . . . . 0.0 113.067 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.02 144.38 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.337 1.455 . . . . 0.0 111.922 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.06 110.47 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.905 1.682 . . . . 0.0 109.032 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -86.78 120.17 27.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.921 1.289 . . . . 0.0 110.493 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -93.81 153.2 18.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.425 0.69 . . . . 0.0 112.34 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.25 159.11 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.296 1.839 . . . . 0.0 111.2 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -72.78 122.55 21.73 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.393 1.077 . . . . 0.0 111.942 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -77.02 151.13 35.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.854 1.262 . . . . 0.0 112.397 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.99 32.59 1.97 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.09 1.756 . . . . 0.0 112.504 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -72.56 -28.48 62.85 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.975 1.31 . . . . 0.0 113.333 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.531 1.932 . . . . 0.0 113.154 -175.696 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 CA-C-O 119.859 -0.412 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -56.87 145.32 84.79 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 124.237 3.291 . . . . 0.0 114.189 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 79.61 -12.58 27.22 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.931 1.253 . . . . 0.0 115.516 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 32.4 t -69.34 -37.13 77.54 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.226 1.513 . . . . 0.0 111.949 172.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm -155.53 170.41 22.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.351 1.861 . . . . 0.0 110.963 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 31.2 t -143.44 157.26 44.6 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.135 1.374 . . . . 0.0 109.825 168.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -143.58 169.48 17.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.608 1.563 . . . . 0.0 111.565 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.18 165.19 25.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.94 1.296 . . . . 0.0 114.143 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -124.21 126.73 46.61 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.202 1.801 . . . . 0.0 109.672 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t -95.81 142.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.029 1.332 . . . . 0.0 110.096 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.76 138.0 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.679 1.592 . . . . 0.0 110.878 167.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -148.43 159.68 43.79 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.47 1.508 . . . . 0.0 111.439 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 50.1 m -134.43 127.92 32.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.9 0.88 . . . . 0.0 110.331 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.09 163.07 20.88 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.365 1.466 . . . . 0.0 112.102 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -26.08 68.07 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.776 0.831 . . . . 0.0 112.75 170.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.39 -4.37 39.04 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.36 1.464 . . . . 0.0 113.571 171.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.8 7.17 78.67 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.541 1.544 . . . . 0.0 114.993 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.64 112.91 3.54 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 118.352 1.076 . . . . 0.0 112.464 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -79.26 136.3 37.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.351 1.06 . . . . 0.0 111.272 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.6 t -136.38 142.04 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.88 1.672 . . . . 0.0 110.728 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -137.33 145.19 43.09 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.924 1.29 . . . . 0.0 111.796 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -139.3 119.65 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.319 1.448 . . . . 0.0 109.582 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.06 -179.91 41.27 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.567 1.08 . . . . 0.0 113.562 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 59.57 28.57 18.01 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.7 t -81.26 135.12 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 111.174 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.3 mt -99.37 -34.9 10.11 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -150.82 158.48 44.2 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.6 t -132.7 139.92 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.976 2.111 . . . . 0.0 108.847 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -131.27 135.66 47.51 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.109 1.364 . . . . 0.0 111.855 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.44 145.79 24.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.826 1.25 . . . . 0.0 111.85 170.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -128.1 173.08 10.39 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.491 1.917 . . . . 0.0 110.288 168.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.58 40.02 0.5 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.209 1.862 . . . . 0.0 115.476 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.9 8.53 0.06 OUTLIER Glycine 0 CA--C 1.54 1.615 0 C-N-CA 126.111 1.815 . . . . 0.0 115.456 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.05 164.11 33.41 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.985 1.893 . . . . 0.0 113.136 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -119.94 145.9 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.773 1.229 . . . . 0.0 110.994 163.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -124.96 143.88 50.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.699 1.999 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.87 132.92 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.272 1.829 . . . . 0.0 110.006 -171.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 93.4 m -127.93 127.16 42.83 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.196 0.998 . . . . 0.0 112.24 -174.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -91.44 165.79 13.21 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.748 1.219 . . . . 0.0 113.906 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.39 -17.11 64.59 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -84.37 4.81 29.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.002 1.321 . . . . 0.0 113.2 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 60.14 27.28 16.73 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.574 1.95 . . . . 0.0 114.081 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -82.85 153.52 25.11 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.915 -1.115 . . . . 0.0 110.688 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -129.25 141.03 51.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.127 0.971 . . . . 0.0 112.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -128.14 149.06 50.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.318 1.847 . . . . 0.0 109.728 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.61 141.6 31.98 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.153 0.981 . . . . 0.0 113.035 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -140.66 100.27 6.76 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.541 . . . . 0.0 111.272 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.08 149.01 92.07 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.747 2.965 . . . . 0.0 113.374 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 3.91 90.55 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.688 1.613 . . . . 0.0 115.45 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.91 165.14 11.35 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.705 1.252 . . . . 0.0 113.627 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.63 157.38 45.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.327 2.251 . . . . 0.0 110.257 165.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 67.6 mt -71.48 114.69 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 -49.5 2.07 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.418 1.008 . . . . 0.0 113.71 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -148.92 150.49 33.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.659 1.184 . . . . 0.0 111.859 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -131.0 132.15 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.488 1.115 . . . . 0.0 110.329 166.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -108.78 99.86 9.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 108.871 163.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.89 -23.04 67.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.086 0.955 . . . . 0.0 112.654 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -55.22 -28.9 56.37 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.716 1.607 . . . . 0.0 113.462 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 t -133.62 10.07 3.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.625 1.97 . . . . 0.0 112.687 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.43 26.65 68.34 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 120.563 -1.336 . . . . 0.0 114.515 -177.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.8 t -81.69 118.72 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.534 1.667 . . . . 0.0 110.075 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -106.54 122.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.629 1.571 . . . . 0.0 109.095 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.5 t -106.47 122.97 47.36 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -95.73 147.49 23.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 111.45 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -130.08 159.37 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.108 1.763 . . . . 0.0 110.863 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.67 120.09 17.8 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.363 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 139.57 50.94 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.921 1.288 . . . . 0.0 112.429 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -107.24 13.99 26.62 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -164.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -106.12 8.63 32.26 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 125.76 1.624 . . . . 0.0 113.081 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.843 1.657 . . . . 0.0 113.183 178.874 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.07 -19.61 26.2 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 124.455 3.437 . . . . 0.0 114.12 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.22 157.88 30.33 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.12 1.343 . . . . 0.0 113.165 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.1 t -75.0 153.82 38.35 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.303 1.041 . . . . 0.0 112.569 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.5 mtp -133.8 156.66 47.61 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.346 1.858 . . . . 0.0 112.008 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.0 m -133.1 144.52 50.02 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.508 1.523 . . . . 0.0 110.346 172.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -153.5 168.46 26.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.157 1.383 . . . . 0.0 111.676 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 173.43 11.54 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.252 1.421 . . . . 0.0 112.459 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.55 137.34 41.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.593 1.157 . . . . 0.0 110.87 162.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.74 140.46 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.278 1.031 . . . . 0.0 109.932 169.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -135.79 140.87 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.821 1.248 . . . . 0.0 110.809 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -151.94 158.34 43.02 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 112.333 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 m -132.13 119.3 20.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.424 1.09 . . . . 0.0 108.98 165.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -65.85 161.14 21.72 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.891 1.276 . . . . 0.0 112.469 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.57 -26.84 67.25 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.196 0.999 . . . . 0.0 113.268 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -76.73 -3.19 36.82 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.976 1.71 . . . . 0.0 113.772 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.4 4.49 76.96 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.575 1.56 . . . . 0.0 114.597 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.6 110.44 3.04 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 118.72 1.26 . . . . 0.0 112.776 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -86.02 135.59 33.58 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.798 1.239 . . . . 0.0 111.949 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -139.73 148.06 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.98 1.312 . . . . 0.0 111.01 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -140.21 134.8 31.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.792 1.637 . . . . 0.0 109.961 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.32 123.05 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.205 1.402 . . . . 0.0 109.57 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.17 169.18 34.53 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.169 0.89 . . . . 0.0 113.994 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 57.33 32.68 22.15 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.839 1.656 . . . . 0.0 114.775 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.62 125.35 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.918 1.687 . . . . 0.0 111.225 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.97 -27.29 17.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.317 1.047 . . . . 0.0 113.269 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -158.57 146.91 18.47 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.03 141.08 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.465 1.906 . . . . 0.0 110.779 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -138.89 127.33 23.0 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.636 1.174 . . . . 0.0 112.553 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.53 121.51 38.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.866 1.266 . . . . 0.0 110.593 173.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -106.15 12.39 30.26 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -165.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.33 29.78 63.63 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.273 0.939 . . . . 0.0 113.431 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.73 -19.34 0.05 OUTLIER Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.796 1.665 . . . . 0.0 113.883 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.31 41.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.18 1.792 . . . . 0.0 110.645 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.68 138.71 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.427 0.691 . . . . 0.0 110.894 164.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -112.11 145.53 39.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.857 2.063 . . . . 0.0 110.803 171.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -138.82 134.34 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.877 2.071 . . . . 0.0 109.205 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.4 m -133.96 129.48 36.31 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.824 1.193 . . . . 0.0 112.765 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -84.69 169.96 13.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.51 1.524 . . . . 0.0 113.401 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.24 -11.93 46.23 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.83 4.57 32.5 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.936 1.294 . . . . 0.0 112.934 170.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 60.58 18.53 8.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.126 2.17 . . . . 0.0 114.544 -172.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -79.86 116.66 20.14 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.387 -0.821 . . . . 0.0 110.643 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -86.6 141.06 29.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.493 0.717 . . . . 0.0 112.302 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -126.46 150.27 48.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.154 2.182 . . . . 0.0 109.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.52 142.34 29.11 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.36 0.664 . . . . 0.0 112.677 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -140.88 111.93 6.8 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.067 1.347 . . . . 0.0 111.093 -169.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -75.16 149.06 35.52 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.554 2.836 . . . . 0.0 112.93 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.18 8.74 87.37 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.994 1.283 . . . . 0.0 115.221 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -103.67 163.92 12.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.805 1.242 . . . . 0.0 113.17 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.71 161.45 37.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.234 2.213 . . . . 0.0 109.805 166.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.24 116.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.8 -41.87 4.28 Favored Glycine 0 N--CA 1.471 1.002 0 C-N-CA 124.606 1.098 . . . . 0.0 113.96 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -149.94 144.35 25.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.619 1.167 . . . . 0.0 111.522 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -128.17 121.57 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.015 1.726 . . . . 0.0 108.488 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -117.69 103.58 10.16 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.305 1.442 . . . . 0.0 109.557 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.43 -22.81 40.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.559 1.544 . . . . 0.0 112.438 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -54.23 7.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.334 1.054 . . . . 0.0 109.689 175.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -81.1 -17.85 48.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.77 46.01 25.61 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.68 1.133 . . . . 0.0 113.026 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.7 139.91 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.033 1.333 . . . . 0.0 111.29 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -126.57 128.16 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.974 1.71 . . . . 0.0 108.781 175.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.8 m -116.71 124.62 50.12 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.603 1.161 . . . . 0.0 110.68 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.04 150.32 21.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.968 0.907 . . . . 0.0 111.821 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.54 161.57 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.098 1.759 . . . . 0.0 111.209 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.91 118.8 16.3 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.638 0.775 . . . . 0.0 111.074 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 65' ' ' ASN . 42.2 tt0 -64.47 127.77 32.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.033 0.933 . . . . 0.0 112.968 -172.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -87.16 2.37 50.14 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.428 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 7.1 t-20 -75.79 -14.81 60.31 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 126.32 1.848 . . . . 0.0 114.079 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 126.361 1.864 . . . . 0.0 114.138 -177.091 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 CA-C-O 119.456 -0.635 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.49 161.62 20.1 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.302 3.335 . . . . 0.0 114.355 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.28 0.01 89.34 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.799 1.19 . . . . 0.0 115.407 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 96.7 p -77.08 -1.16 27.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.837 1.655 . . . . 0.0 114.36 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm -159.4 158.31 31.91 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.579 1.952 . . . . 0.0 111.868 -173.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 18.8 m -136.66 46.64 2.22 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.621 1.968 . . . . 0.0 111.651 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -53.63 141.45 25.94 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -173.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.26 -179.31 3.74 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.272 . . . . 0.0 113.031 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -115.37 142.96 45.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.042 1.337 . . . . 0.0 111.186 159.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -101.22 145.15 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.467 1.507 . . . . 0.0 109.97 171.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.87 142.92 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.329 1.452 . . . . 0.0 111.468 170.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -149.78 154.44 38.47 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.682 1.593 . . . . 0.0 111.889 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -115.53 134.3 55.2 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.067 1.347 . . . . 0.0 111.022 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -77.69 157.22 30.22 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.957 1.703 . . . . 0.0 112.197 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.14 67.29 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.909 0.884 . . . . 0.0 112.866 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.77 -3.62 35.94 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.793 1.637 . . . . 0.0 114.04 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.75 6.92 86.59 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.284 1.421 . . . . 0.0 114.669 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.21 171.85 55.05 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.635 1.112 . . . . 0.0 112.532 171.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -140.81 146.68 37.93 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.28 1.032 . . . . 0.0 111.635 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.38 139.09 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.636 1.574 . . . . 0.0 110.053 -176.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -122.0 150.02 42.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.276 1.43 . . . . 0.0 111.327 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.7 mt -131.46 124.69 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.767 1.627 . . . . 0.0 108.314 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.78 170.1 27.65 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.709 1.147 . . . . 0.0 114.276 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 54.54 39.54 31.21 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.043 1.737 . . . . 0.0 114.053 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.4 119.91 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.581 1.552 . . . . 0.0 111.69 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.07 -34.1 26.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.826 1.251 . . . . 0.0 112.716 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -156.36 155.02 31.47 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -128.56 134.59 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 126.8 2.04 . . . . 0.0 108.862 174.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtm105 -134.78 122.72 22.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.537 1.535 . . . . 0.0 111.061 -168.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.67 32.9 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.182 0.993 . . . . 0.0 111.313 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -103.98 13.96 31.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 112.527 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.93 -32.55 1.96 Allowed Glycine 0 CA--C 1.54 1.654 0 C-N-CA 126.069 1.795 . . . . 0.0 115.017 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.26 6.07 11.96 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 126.38 1.943 . . . . 0.0 114.484 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.29 165.62 33.05 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.082 1.753 . . . . 0.0 111.746 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.0 t -127.17 144.32 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 124.575 1.15 . . . . 0.0 111.553 170.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -130.15 148.24 51.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.093 2.157 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.48 132.01 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.295 1.438 . . . . 0.0 110.271 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -115.44 127.57 55.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.466 1.107 . . . . 0.0 111.941 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -89.85 167.33 12.93 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.26 -28.98 30.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.954 2.102 . . . . 0.0 113.525 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.05 18.65 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.266 1.426 . . . . 0.0 113.781 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 62.28 13.9 6.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.772 2.029 . . . . 0.0 115.532 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -72.9 132.91 44.09 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -104.65 139.59 39.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.337 1.055 . . . . 0.0 111.828 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -117.37 150.86 38.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.751 1.621 . . . . 0.0 109.917 168.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.28 140.91 28.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.041 0.936 . . . . 0.0 112.484 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -142.89 100.6 5.44 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.928 1.291 . . . . 0.0 111.066 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.47 146.27 67.64 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.338 2.026 . . . . 0.0 111.469 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.91 10.84 85.2 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.741 1.162 . . . . 0.0 115.099 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -106.26 165.39 11.28 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.978 1.389 . . . . 0.0 112.673 172.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.03 159.5 42.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.203 2.201 . . . . 0.0 110.802 167.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 59.9 mt -77.08 119.13 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.971 0.908 . . . . 0.0 109.134 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.36 -43.27 2.21 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.388 0.994 . . . . 0.0 115.208 -174.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -142.19 145.61 34.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.003 1.321 . . . . 0.0 111.583 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.24 106.54 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.74 2.016 . . . . 0.0 109.07 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -100.84 77.73 1.89 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.588 1.555 . . . . 0.0 109.895 174.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -31.86 67.53 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.251 1.02 . . . . 0.0 111.741 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.9 -43.08 65.92 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.993 1.717 . . . . 0.0 112.59 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 -23.65 15.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.588 1.555 . . . . 0.0 113.323 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.12 43.12 14.18 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.625 1.107 . . . . 0.0 112.873 -170.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.48 136.76 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.601 1.16 . . . . 0.0 111.08 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -130.63 133.75 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.842 1.657 . . . . 0.0 109.346 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -120.78 127.38 51.9 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.495 1.118 . . . . 0.0 111.937 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.92 153.39 18.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.387 1.075 . . . . 0.0 112.396 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.78 160.18 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.136 1.774 . . . . 0.0 111.418 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -77.39 120.19 22.05 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.219 1.008 . . . . 0.0 111.833 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -94.67 142.56 27.31 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.644 1.977 . . . . 0.0 111.853 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -93.48 3.98 54.69 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -174.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -73.51 5.53 3.73 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.532 1.533 . . . . 0.0 114.385 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 . . . . . 0 C--O 1.256 1.418 0 C-N-CA 127.111 2.165 . . . . 0.0 113.11 179.505 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 CA-C-O 119.522 -0.599 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -64.17 -29.3 64.83 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.573 2.849 . . . . 0.0 115.18 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 67.26 -137.99 33.87 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.901 0.763 . . . . 0.0 113.018 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 25.0 m -67.85 -21.86 65.16 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.411 1.085 . . . . 0.0 113.793 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mmm -87.8 145.88 25.88 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.965 1.306 . . . . 0.0 111.876 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m -140.86 154.69 46.29 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.493 1.517 . . . . 0.0 110.03 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -153.89 138.43 16.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.329 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 175.55 6.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.854 1.262 . . . . 0.0 112.5 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -110.63 146.13 36.7 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.001 0.92 . . . . 0.0 111.264 153.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.43 141.66 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.141 1.376 . . . . 0.0 110.434 174.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -131.46 137.22 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.512 1.125 . . . . 0.0 112.002 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -154.81 168.32 27.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.002 1.721 . . . . 0.0 111.666 -175.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 m -129.42 128.31 42.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.786 0.834 . . . . 0.0 110.296 172.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -71.31 161.9 30.31 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.938 1.295 . . . . 0.0 112.517 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.66 -25.36 67.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.58 1.152 . . . . 0.0 112.853 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.19 -6.65 30.2 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.309 1.844 . . . . 0.0 113.746 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 6.21 89.21 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.858 1.694 . . . . 0.0 114.209 -172.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.44 122.04 5.61 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 117.978 0.889 . . . . 0.0 113.151 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -72.39 137.46 46.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.937 0.895 . . . . 0.0 110.19 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.07 136.88 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.31 1.444 . . . . 0.0 110.287 -176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -139.42 131.51 28.0 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.434 1.493 . . . . 0.0 110.068 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.96 120.46 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.969 1.307 . . . . 0.0 109.174 -172.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.73 170.27 32.04 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.25 0.929 . . . . 0.0 114.259 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 55.09 37.05 28.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.476 1.91 . . . . 0.0 114.409 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.61 122.48 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.34 -38.01 19.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.482 0.713 . . . . 0.0 112.426 172.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -147.78 154.14 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -138.88 139.28 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 126.507 1.923 . . . . 0.0 108.956 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -137.57 140.52 41.06 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.857 1.263 . . . . 0.0 110.879 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.64 122.31 41.69 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.99 0.916 . . . . 0.0 109.898 163.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -97.47 13.86 28.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.664 1.586 . . . . 0.0 113.661 -170.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.23 39.28 37.15 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.977 1.275 . . . . 0.0 113.772 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.29 -21.31 0.12 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.784 1.659 . . . . 0.0 114.022 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.61 157.6 35.57 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.213 2.205 . . . . 0.0 109.856 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -96.88 156.93 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 166.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -132.46 134.98 45.74 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.566 1.946 . . . . 0.0 109.851 170.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -128.74 132.23 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 127.47 2.308 . . . . 0.0 109.638 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.7 m -128.37 129.44 46.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.823 0.849 . . . . 0.0 112.522 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.9 p -87.88 169.83 11.69 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.389 1.476 . . . . 0.0 114.17 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.0 tp -52.56 -29.0 23.25 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.496 2.318 . . . . 0.0 114.221 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.39 17.6 23.72 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 113.268 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 61.2 13.93 5.16 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.919 2.088 . . . . 0.0 115.491 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.73 145.51 48.75 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.699 -1.251 . . . . 0.0 110.51 165.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -125.78 144.44 50.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.881 1.272 . . . . 0.0 112.583 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -131.31 149.42 52.57 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.019 1.728 . . . . 0.0 110.198 172.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.46 144.58 26.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.979 0.912 . . . . 0.0 112.534 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.71 113.48 4.66 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.494 -169.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -62.99 149.27 92.09 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.663 2.909 . . . . 0.0 113.645 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.44 19.24 79.64 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.504 0.962 . . . . 0.0 115.504 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.67 159.71 20.19 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.024 1.33 . . . . 0.0 112.788 174.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.7 160.13 40.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.686 1.994 . . . . 0.0 110.543 170.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -76.7 117.15 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.593 -0.692 . . . . 0.0 109.399 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.47 -42.38 3.96 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.35 0.976 . . . . 0.0 113.912 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -146.21 153.8 41.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.051 1.34 . . . . 0.0 112.096 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.1 136.0 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.638 1.575 . . . . 0.0 109.787 167.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -136.1 108.41 7.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.325 1.85 . . . . 0.0 108.696 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.89 -26.83 43.87 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.791 1.636 . . . . 0.0 111.926 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -65.09 -48.75 72.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.3 1.84 . . . . 0.0 111.085 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -89.7 -19.01 25.33 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.22 15.3 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.088 1.327 . . . . 0.0 113.514 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -131.25 140.7 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -122.61 127.5 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 126.347 1.859 . . . . 0.0 109.107 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.9 m -105.96 131.25 53.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.189 0.996 . . . . 0.0 110.812 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -99.98 154.42 18.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.678 0.791 . . . . 0.0 112.364 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 pp -134.96 159.63 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.037 1.735 . . . . 0.0 111.311 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.54 124.45 25.24 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.886 0.875 . . . . 0.0 112.219 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -89.32 107.49 19.09 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.823 1.649 . . . . 0.0 111.688 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -88.75 8.72 27.43 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.242 1.017 . . . . 0.0 113.608 173.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -71.51 -3.51 21.62 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.667 1.987 . . . . 0.0 114.764 -172.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.6 mmt-85 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.719 2.008 . . . . 0.0 111.712 -173.079 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -70.33 162.47 42.26 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.929 3.086 . . . . 0.0 113.443 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -158.54 124.94 1.44 Allowed Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.505 1.05 . . . . 0.0 111.664 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m -103.37 -11.18 18.06 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.98 1.312 . . . . 0.0 114.369 -172.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm -70.35 158.78 35.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.024 0.93 . . . . 0.0 113.298 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 23.9 t -135.59 169.81 16.94 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.109 1.763 . . . . 0.0 110.482 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.3 158.43 43.96 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.052 1.341 . . . . 0.0 110.711 171.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.07 -178.74 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.376 1.471 . . . . 0.0 111.769 -173.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -118.14 147.12 43.63 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.105 0.962 . . . . 0.0 112.458 163.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.7 t -93.39 145.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.694 1.198 . . . . 0.0 110.193 171.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.7 136.49 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.102 1.361 . . . . 0.0 112.158 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.19 162.39 41.21 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.574 1.949 . . . . 0.0 110.905 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.6 m -137.83 131.09 30.58 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.016 0.926 . . . . 0.0 110.957 174.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -70.06 160.88 31.18 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.81 1.644 . . . . 0.0 112.322 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 -25.04 68.08 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.652 0.781 . . . . 0.0 112.88 170.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -75.04 -2.45 27.42 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.511 1.524 . . . . 0.0 113.609 172.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.29 5.94 81.95 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.748 1.642 . . . . 0.0 114.649 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.43 107.52 2.49 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 118.749 1.275 . . . . 0.0 112.601 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -73.83 136.18 43.48 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.128 0.971 . . . . 0.0 110.879 171.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -134.12 134.99 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.204 1.802 . . . . 0.0 110.051 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.24 143.29 46.25 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.407 1.083 . . . . 0.0 111.18 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.49 115.86 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.961 1.305 . . . . 0.0 108.446 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.9 170.37 37.89 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.834 1.207 . . . . 0.0 114.612 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 57.85 33.07 22.79 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 114.478 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -77.46 128.1 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.184 1.794 . . . . 0.0 110.906 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 42.7 mt -91.15 -30.95 16.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.892 0.877 . . . . 0.0 113.194 172.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -156.31 152.76 28.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.49 139.11 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.828 2.051 . . . . 0.0 109.278 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -136.22 135.05 38.75 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.892 1.277 . . . . 0.0 110.947 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.64 114.7 26.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.376 1.47 . . . . 0.0 110.387 171.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -76.39 179.74 5.65 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.927 1.291 . . . . 0.0 110.396 164.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -11.43 48.81 Favored Glycine 0 CA--C 1.544 1.851 0 O-C-N 120.289 -1.507 . . . . 0.0 115.884 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.12 22.14 0.26 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.799 1.19 . . . . 0.0 115.276 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.48 30.33 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.128 1.464 . . . . 0.0 111.852 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -107.06 143.82 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.344 1.057 . . . . 0.0 111.066 166.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -123.31 140.92 52.53 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.651 1.98 . . . . 0.0 110.172 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 67.7 t -133.1 131.54 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.941 2.096 . . . . 0.0 109.453 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -129.7 129.4 44.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.795 0.838 . . . . 0.0 112.643 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 p -96.36 167.91 10.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.425 1.49 . . . . 0.0 112.531 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -66.85 -10.45 48.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.67 2.23 30.55 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.149 1.379 . . . . 0.0 113.231 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t0 60.79 22.46 12.46 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.067 2.147 . . . . 0.0 113.848 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -82.64 137.64 34.42 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.273 1.029 . . . . 0.0 110.504 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -109.12 137.85 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.611 1.164 . . . . 0.0 111.563 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -119.16 147.86 43.73 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.382 1.873 . . . . 0.0 109.714 167.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.0 144.86 31.86 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.44 108.29 6.67 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.898 1.279 . . . . 0.0 111.141 -170.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.22 148.78 56.47 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.933 2.422 . . . . 0.0 112.213 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.81 89.76 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.222 1.392 . . . . 0.0 114.985 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 mt -106.59 164.23 12.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.803 1.241 . . . . 0.0 112.95 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.16 166.04 25.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.32 2.248 . . . . 0.0 110.146 165.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mt -74.31 123.99 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.463 -0.773 . . . . 0.0 109.268 174.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.22 -38.17 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.108 0.861 . . . . 0.0 113.983 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -144.65 152.7 40.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.753 1.221 . . . . 0.0 112.698 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -133.36 133.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.579 1.952 . . . . 0.0 108.444 169.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -141.28 106.97 5.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.029 175.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.73 -14.96 50.35 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.588 1.155 . . . . 0.0 113.644 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -76.13 -40.47 52.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.0 0.92 . . . . 0.0 111.048 170.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -77.77 -34.07 52.49 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.76 171.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.92 36.84 20.93 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.502 1.525 . . . . 0.0 112.952 -173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.85 142.28 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.24 1.416 . . . . 0.0 112.262 -168.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.1 mt -125.11 117.38 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.064 1.746 . . . . 0.0 108.806 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.9 m -96.48 130.73 43.57 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.363 1.065 . . . . 0.0 111.32 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.22 155.63 16.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.746 0.818 . . . . 0.0 112.013 173.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.9 164.58 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.835 2.054 . . . . 0.0 111.369 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -74.56 113.73 12.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.543 1.137 . . . . 0.0 110.94 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.97 145.16 50.23 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 122.125 0.964 . . . . 0.0 111.733 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -147.54 28.02 0.98 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.254 1.822 . . . . 0.0 111.785 -168.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -75.71 -28.75 58.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.061 1.744 . . . . 0.0 113.257 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 126.408 1.883 . . . . 0.0 112.948 -177.861 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.328 0 CA-C-O 119.293 -0.726 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.65 157.6 36.46 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 124.693 3.596 . . . . 0.0 114.513 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -84.38 175.45 51.07 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 118.777 -2.452 . . . . 0.0 114.187 -5.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.5 m -65.98 150.65 48.33 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.973 1.309 . . . . 0.0 112.463 174.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp -68.73 147.39 51.88 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 122.465 1.126 . . . . 0.0 113.266 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.7 t -144.41 167.25 22.92 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.587 2.755 . . . . 0.0 108.286 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.2 ptm -149.11 155.67 41.05 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.775 -1.203 . . . . 0.0 111.377 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.54 -179.39 6.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.683 1.193 . . . . 0.0 112.519 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -121.94 143.6 49.36 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.033 1.333 . . . . 0.0 111.473 166.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.0 t -96.72 144.78 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.772 1.229 . . . . 0.0 110.833 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.18 129.54 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.099 2.16 . . . . 0.0 109.909 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -152.43 164.82 36.77 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.826 1.251 . . . . 0.0 111.765 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.4 m -137.47 132.45 33.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.639 0.776 . . . . 0.0 110.913 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -70.7 164.22 25.51 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.005 1.722 . . . . 0.0 113.563 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -26.71 68.2 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.644 1.177 . . . . 0.0 113.697 173.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -78.13 -0.74 29.41 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.0 1.32 . . . . 0.0 113.613 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.18 0.77 76.66 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.856 1.693 . . . . 0.0 114.998 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.84 116.66 4.4 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 119.441 1.621 . . . . 0.0 112.772 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -74.04 140.18 45.21 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.252 1.021 . . . . 0.0 111.232 174.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.4 t -135.86 138.01 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.587 1.955 . . . . 0.0 109.721 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -139.62 147.02 40.49 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 111.919 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -128.18 122.84 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.293 1.437 . . . . 0.0 108.701 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.58 167.48 33.81 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.542 1.068 . . . . 0.0 113.764 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 55.17 37.43 28.89 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.415 1.486 . . . . 0.0 114.397 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -74.87 130.39 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.873 1.669 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.9 mt -103.09 -24.8 13.59 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.755 1.222 . . . . 0.0 113.92 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.19 149.64 24.67 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.136 0.88 . . . . 0.0 113.234 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.08 142.71 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.912 2.085 . . . . 0.0 109.292 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -140.14 148.56 41.83 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 111.008 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.83 118.49 28.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.203 1.001 . . . . 0.0 111.289 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -88.21 171.44 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.895 1.678 . . . . 0.0 110.878 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.26 42.58 0.81 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.098 1.332 . . . . 0.0 114.838 174.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.17 -9.51 0.06 OUTLIER Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.104 1.335 . . . . 0.0 116.102 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.64 150.95 19.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.044 1.922 . . . . 0.0 112.921 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -97.15 145.83 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.876 0.87 . . . . 0.0 110.571 166.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -126.8 147.54 50.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.357 1.863 . . . . 0.0 111.006 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.05 133.15 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.853 1.661 . . . . 0.0 109.445 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.2 m -131.69 131.63 43.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 0.0 112.576 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -90.93 169.4 10.93 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.988 1.315 . . . . 0.0 113.924 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.51 -22.63 13.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.539 2.336 . . . . 0.0 113.48 168.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -106.37 18.17 22.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.222 1.409 . . . . 0.0 113.086 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 61.58 18.34 9.41 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.026 2.13 . . . . 0.0 115.009 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.11 132.73 41.45 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.974 -1.079 . . . . 0.0 109.732 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -113.46 141.97 46.47 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.936 0.894 . . . . 0.0 112.179 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -131.39 148.82 52.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.157 1.783 . . . . 0.0 110.143 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.7 142.26 36.9 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.028 0.931 . . . . 0.0 113.0 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.98 98.91 6.75 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.702 1.601 . . . . 0.0 112.169 -170.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.46 149.95 87.32 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.701 2.934 . . . . 0.0 114.435 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 6.87 86.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.827 1.203 . . . . 0.0 115.948 171.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 mt -103.6 166.92 10.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.084 1.354 . . . . 0.0 112.183 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.75 161.85 36.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.095 1.758 . . . . 0.0 110.389 160.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.35 110.8 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.74 -49.65 4.49 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.767 1.175 . . . . 0.0 113.168 -173.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -148.55 138.0 21.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.674 1.189 . . . . 0.0 111.692 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.11 136.71 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.42 1.488 . . . . 0.0 109.711 164.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -136.43 110.15 8.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.999 1.72 . . . . 0.0 109.466 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.99 -10.82 52.23 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.63 1.172 . . . . 0.0 113.513 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -44.7 31.44 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 167.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -76.12 -28.83 57.62 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.408 1.083 . . . . 0.0 113.203 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 37.44 49.56 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.447 1.022 . . . . 0.0 112.917 -172.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.79 140.19 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.963 1.305 . . . . 0.0 111.938 -170.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.58 106.06 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.858 1.663 . . . . 0.0 109.634 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 t -90.24 125.09 35.37 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 111.258 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -94.12 150.22 20.52 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.849 1.26 . . . . 0.0 111.011 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.89 156.42 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.472 1.509 . . . . 0.0 110.841 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -73.53 114.97 12.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.445 1.098 . . . . 0.0 110.571 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -90.18 135.21 33.81 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.541 -0.724 . . . . 0.0 111.092 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -131.38 13.6 5.05 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -157.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.59 -22.74 66.13 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.362 1.065 . . . . 0.0 112.694 168.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.934 2.093 . . . . 0.0 113.749 172.374 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.298 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.34 156.14 42.51 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 124.444 3.429 . . . . 0.0 114.57 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.48 -178.51 40.21 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.328 0.966 . . . . 0.0 113.524 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.6 m 54.92 30.67 14.4 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.08 1.752 . . . . 0.0 114.613 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mmm -65.61 151.15 47.16 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.149 1.38 . . . . 0.0 113.738 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 9.3 t -145.52 143.85 30.2 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.429 1.892 . . . . 0.0 109.328 166.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -154.32 158.12 39.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.923 1.689 . . . . 0.0 110.274 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.2 -178.59 4.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.735 1.214 . . . . 0.0 112.528 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -119.68 134.09 55.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.366 1.066 . . . . 0.0 111.61 165.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.09 138.83 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.919 1.288 . . . . 0.0 110.174 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.47 142.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.369 1.068 . . . . 0.0 112.342 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -151.02 170.47 19.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.13 2.172 . . . . 0.0 110.627 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.6 m -131.71 132.46 43.92 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.973 0.909 . . . . 0.0 111.406 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -71.83 164.36 26.16 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.195 1.798 . . . . 0.0 112.844 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.28 -26.76 67.99 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.121 0.968 . . . . 0.0 113.309 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -70.72 -7.22 43.16 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.204 1.802 . . . . 0.0 113.664 172.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.07 4.35 90.53 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.531 1.539 . . . . 0.0 113.758 -170.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.39 129.96 9.44 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.765 1.174 . . . . 0.0 112.682 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -73.55 142.65 46.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.677 0.791 . . . . 0.0 110.726 177.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -131.33 133.3 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.855 1.662 . . . . 0.0 108.857 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -140.68 140.25 34.92 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.739 -173.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.13 120.07 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.827 1.651 . . . . 0.0 109.081 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.74 170.39 40.06 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.897 0.761 . . . . 0.0 114.113 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 58.12 31.99 21.43 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.868 1.667 . . . . 0.0 114.193 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.98 124.67 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 111.663 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -95.3 -38.94 10.3 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.391 1.476 . . . . 0.0 111.643 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -148.23 154.66 40.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.296 1.038 . . . . 0.0 112.914 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -139.62 136.48 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.063 1.345 . . . . 0.0 109.177 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -118.78 146.34 44.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.025 1.73 . . . . 0.0 111.6 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.86 114.77 28.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.509 1.124 . . . . 0.0 109.714 161.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -82.48 -177.35 6.65 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 0.0 110.977 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -10.07 36.14 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.51 20.14 0.17 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 118.559 1.179 . . . . 0.0 115.67 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.39 155.71 27.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.115 1.457 . . . . 0.0 112.226 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -99.41 142.45 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.284 1.033 . . . . 0.0 110.511 165.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -125.57 137.12 53.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.245 1.818 . . . . 0.0 110.917 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.3 132.89 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.457 1.903 . . . . 0.0 109.458 -172.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -134.08 129.21 35.66 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.477 0.711 . . . . 0.0 112.184 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.0 p -81.32 164.55 22.1 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.949 1.299 . . . . 0.0 112.872 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -67.02 -14.86 63.31 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -83.96 3.93 32.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.544 1.537 . . . . 0.0 113.755 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t0 62.12 28.72 17.3 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.495 1.918 . . . . 0.0 114.667 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -85.3 141.5 30.02 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.27 -0.894 . . . . 0.0 110.332 166.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -123.21 142.32 51.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.777 1.231 . . . . 0.0 113.183 -173.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -133.09 149.76 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.352 1.861 . . . . 0.0 110.09 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.34 145.38 33.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.739 0.815 . . . . 0.0 113.134 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -142.61 105.76 5.43 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.347 1.459 . . . . 0.0 111.578 -170.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.7 148.63 59.41 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.275 2.65 . . . . 0.0 112.695 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 -4.71 56.19 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.34 1.448 . . . . 0.0 115.574 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.2 mt -88.19 164.83 15.46 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.903 1.351 . . . . 0.0 112.418 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 158.99 43.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.408 2.283 . . . . 0.0 109.925 164.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 54.4 mt -73.05 113.69 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.52 -37.93 6.82 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.532 1.063 . . . . 0.0 113.775 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -145.02 148.63 33.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.426 1.49 . . . . 0.0 112.287 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.98 105.25 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 127.035 2.134 . . . . 0.0 107.436 168.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -108.6 88.29 2.69 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.507 1.523 . . . . 0.0 110.797 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -63.36 -34.16 77.12 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.622 0.769 . . . . 0.0 111.081 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.31 -36.78 66.57 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.181 1.792 . . . . 0.0 113.563 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 27.9 m -101.91 -18.61 15.62 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.94 33.52 62.67 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.079 0.847 . . . . 0.0 113.18 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -131.08 141.99 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.04 1.336 . . . . 0.0 111.577 -171.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.5 mt -124.35 135.47 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.68 1.592 . . . . 0.0 108.396 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -125.6 128.9 48.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.054 0.942 . . . . 0.0 111.11 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.74 153.51 18.67 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.864 0.866 . . . . 0.0 112.594 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -137.09 161.87 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.558 1.943 . . . . 0.0 110.542 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -77.12 122.41 24.95 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.598 -0.689 . . . . 0.0 110.245 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -67.55 116.82 8.71 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.833 0.853 . . . . 0.0 112.302 -171.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -138.14 38.83 2.32 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.72 1.608 . . . . 0.0 111.836 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -71.91 -10.77 60.24 Favored 'General case' 0 CA--C 1.554 1.099 0 O-C-N 120.702 -1.249 . . . . 0.0 114.106 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 . . . . . 0 C--O 1.252 1.208 0 C-N-CA 126.468 1.907 . . . . 0.0 114.213 173.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 112.195 -0.362 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -74.07 -18.15 21.48 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.565 2.843 . . . . 0.0 114.485 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.99 -158.45 51.16 Favored Glycine 0 CA--C 1.537 1.459 0 CA-C-N 119.005 0.82 . . . . 0.0 113.042 -171.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.5 m -64.55 130.66 44.52 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.056 0.943 . . . . 0.0 112.457 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.5 mtp -93.21 147.11 23.18 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.788 1.235 . . . . 0.0 111.764 173.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.2 m -134.83 170.75 15.38 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.631 2.373 . . . . 0.0 109.603 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.6 mtp -136.58 149.21 47.94 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.724 1.61 . . . . 0.0 110.801 171.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.77 173.54 13.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.772 1.229 . . . . 0.0 111.517 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -111.71 144.9 40.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.149 0.98 . . . . 0.0 111.742 163.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.64 142.74 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.329 1.052 . . . . 0.0 109.284 165.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.42 139.46 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.881 1.273 . . . . 0.0 110.842 170.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.47 165.19 35.86 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.671 1.588 . . . . 0.0 111.564 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -135.02 131.98 37.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.873 0.869 . . . . 0.0 110.498 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -67.17 163.53 20.08 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.507 1.523 . . . . 0.0 112.141 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.11 -26.26 68.19 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.813 0.845 . . . . 0.0 112.854 170.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -78.43 -4.54 48.85 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.933 1.693 . . . . 0.0 114.065 172.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.89 77.47 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.581 1.562 . . . . 0.0 114.936 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.98 116.52 4.47 Favored Glycine 0 CA--C 1.537 1.425 0 CA-C-N 118.318 1.059 . . . . 0.0 111.655 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -85.44 139.06 31.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.07 0.948 . . . . 0.0 111.779 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -139.74 143.74 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.891 1.676 . . . . 0.0 110.302 -173.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -140.54 149.74 42.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.166 0.986 . . . . 0.0 112.478 172.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.94 120.38 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.793 1.637 . . . . 0.0 108.376 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 173.04 40.96 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.68 1.133 . . . . 0.0 113.969 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 57.99 34.03 23.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.592 1.557 . . . . 0.0 113.964 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -76.14 131.96 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.291 1.437 . . . . 0.0 110.655 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.1 mt -101.19 -21.12 15.01 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.209 1.004 . . . . 0.0 113.423 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -160.84 151.81 18.7 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.65 1.113 . . . . 0.0 113.619 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.22 133.26 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.542 1.937 . . . . 0.0 109.403 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -131.71 123.94 28.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 110.935 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.45 137.58 32.23 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.614 0.721 . . . . 0.0 111.37 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -112.95 11.45 19.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.481 1.913 . . . . 0.0 112.09 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.25 -60.54 2.3 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 126.656 2.074 . . . . 0.0 112.83 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -6.29 79.28 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.802 1.192 . . . . 0.0 114.527 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.09 166.19 26.14 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.902 1.681 . . . . 0.0 112.345 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.0 t -121.76 142.91 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.056 1.342 . . . . 0.0 110.851 162.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -120.86 147.46 45.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.888 2.075 . . . . 0.0 110.884 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -139.65 135.4 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.241 1.817 . . . . 0.0 109.369 -170.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.3 m -131.86 132.75 43.94 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.882 0.764 . . . . 0.0 112.238 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -91.18 167.17 12.53 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.93 -27.73 45.6 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.108 2.163 . . . . 0.0 113.359 168.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.77 19.63 16.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.54 1.536 . . . . 0.0 113.547 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.4 t0 61.64 25.0 15.0 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.922 2.089 . . . . 0.0 115.373 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -83.81 129.0 34.94 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.853 -1.154 . . . . 0.0 110.192 167.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -104.04 139.82 38.61 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.091 0.956 . . . . 0.0 111.281 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -129.47 148.26 51.36 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.075 1.75 . . . . 0.0 109.748 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.36 140.87 32.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.709 0.804 . . . . 0.0 111.763 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -139.18 112.31 8.0 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.039 1.336 . . . . 0.0 110.763 -171.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -73.22 149.5 45.85 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.949 2.433 . . . . 0.0 112.499 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.21 86.2 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.03 1.3 . . . . 0.0 115.057 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -105.72 163.12 12.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.666 1.233 . . . . 0.0 113.165 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.6 162.05 36.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.219 2.208 . . . . 0.0 110.328 167.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mt -78.65 122.19 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 120.892 -1.13 . . . . 0.0 110.05 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -110.54 -29.07 3.77 Favored Glycine 0 N--CA 1.477 1.393 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.57 144.67 31.42 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.754 1.222 . . . . 0.0 111.603 179.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.9 t -140.86 131.8 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.602 1.561 . . . . 0.0 108.909 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -147.76 105.04 3.65 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.743 1.217 . . . . 0.0 110.475 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.35 -26.81 38.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.446 1.498 . . . . 0.0 112.179 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -63.37 -47.13 83.36 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.518 1.527 . . . . 0.0 110.708 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 m -87.41 -20.19 27.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 174.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.56 43.69 18.42 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.282 0.944 . . . . 0.0 113.861 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.8 t -134.78 139.86 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.054 1.341 . . . . 0.0 111.588 -173.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.26 126.12 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.558 1.943 . . . . 0.0 108.88 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -113.49 129.25 56.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.301 1.04 . . . . 0.0 111.567 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -97.79 152.61 18.97 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.169 0.987 . . . . 0.0 112.15 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.24 158.61 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.874 2.07 . . . . 0.0 111.059 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -77.35 124.23 27.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.499 0.719 . . . . 0.0 111.008 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 144.82 25.35 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.434 1.494 . . . . 0.0 111.332 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.3 40.19 0.93 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.514 1.126 . . . . 0.0 113.579 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -73.75 -0.58 16.11 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.295 1.438 . . . . 0.0 114.661 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.344 0 C-N-CA 126.986 2.114 . . . . 0.0 111.274 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.014 -0.435 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -67.08 159.68 50.94 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.892 3.061 . . . . 0.0 112.634 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.95 -13.23 66.29 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 123.93 0.776 . . . . 0.0 114.534 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 76.8 p -78.95 -30.21 44.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.158 1.383 . . . . 0.0 114.392 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm -82.41 156.16 24.3 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.71 -174.02 4.5 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.099 1.759 . . . . 0.0 110.691 172.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 164.87 29.46 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.493 1.117 . . . . 0.0 111.861 172.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.88 176.12 8.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.099 1.76 . . . . 0.0 113.113 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -128.22 144.66 51.14 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.903 1.681 . . . . 0.0 111.056 165.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -108.74 143.08 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.395 1.478 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -127.23 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.019 1.328 . . . . 0.0 111.715 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -154.74 169.78 23.12 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.413 1.885 . . . . 0.0 111.746 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.8 m -134.58 134.77 41.68 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.653 0.781 . . . . 0.0 111.321 177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.4 162.27 25.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.24 1.416 . . . . 0.0 112.604 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -27.01 68.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.933 0.893 . . . . 0.0 112.907 169.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -75.38 -4.44 39.42 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.868 1.667 . . . . 0.0 114.013 172.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.7 6.62 79.83 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.38 1.467 . . . . 0.0 114.579 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.54 121.15 5.97 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-N 118.647 1.223 . . . . 0.0 112.419 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -71.32 135.87 47.58 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.394 1.077 . . . . 0.0 110.823 173.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -132.91 138.27 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.808 1.643 . . . . 0.0 110.418 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -134.93 143.55 46.97 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.119 1.368 . . . . 0.0 111.058 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -132.62 120.79 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.214 1.406 . . . . 0.0 108.98 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.7 30.35 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.883 1.23 . . . . 0.0 114.378 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 55.79 33.96 22.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.187 1.795 . . . . 0.0 114.33 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.84 130.99 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.964 1.706 . . . . 0.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -97.12 -27.77 14.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.75 152.27 29.68 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.8 t -137.87 135.48 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.526 1.93 . . . . 0.0 109.869 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -135.07 104.7 6.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.171 1.388 . . . . 0.0 110.623 -165.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 119.43 30.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.794 0.838 . . . . 0.0 112.015 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -102.67 5.05 38.83 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.257 1.823 . . . . 0.0 113.42 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.96 -45.83 1.71 Allowed Glycine 0 CA--C 1.538 1.497 0 C-N-CA 126.583 2.04 . . . . 0.0 114.57 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.25 -17.84 78.97 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.321 0.962 . . . . 0.0 114.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.24 165.81 26.3 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.914 1.686 . . . . 0.0 112.086 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -113.66 140.56 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.471 1.108 . . . . 0.0 110.581 160.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -116.29 143.82 45.04 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.498 1.919 . . . . 0.0 110.153 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -134.41 137.93 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 109.647 -171.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.9 m -133.57 129.41 36.98 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.015 0.825 . . . . 0.0 112.626 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -85.72 167.32 15.38 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.474 1.109 . . . . 0.0 113.505 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.02 -27.66 63.74 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.941 1.697 . . . . 0.0 112.807 170.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -88.22 11.9 15.23 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.814 1.645 . . . . 0.0 113.549 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 60.84 21.64 11.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.255 2.222 . . . . 0.0 114.912 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.69 127.02 31.99 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.807 -1.183 . . . . 0.0 110.138 169.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -99.51 139.49 35.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.891 0.876 . . . . 0.0 112.301 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -125.74 149.74 48.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.177 1.791 . . . . 0.0 109.786 171.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.85 140.63 29.9 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.55 0.74 . . . . 0.0 112.63 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.29 111.42 6.5 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.745 1.218 . . . . 0.0 111.106 -170.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.53 149.49 55.83 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.099 2.533 . . . . 0.0 112.898 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.93 7.07 86.39 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.589 1.566 . . . . 0.0 115.439 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.15 165.91 11.49 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.08 1.44 . . . . 0.0 113.853 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.28 166.29 25.94 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.488 2.315 . . . . 0.0 110.239 163.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -76.61 126.75 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.431 -0.793 . . . . 0.0 109.984 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.42 -53.23 1.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.392 1.472 . . . . 0.0 113.664 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -143.75 149.84 37.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.612 1.165 . . . . 0.0 111.94 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -137.35 104.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.318 1.447 . . . . 0.0 109.164 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -97.59 105.83 18.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.357 1.063 . . . . 0.0 110.073 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.85 -26.24 62.29 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.812 -1.18 . . . . 0.0 110.715 167.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -57.9 -26.49 62.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.739 2.016 . . . . 0.0 113.809 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 97.4 p -135.75 -7.83 2.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.06 1.344 . . . . 0.0 114.573 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.94 7.94 86.61 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.26 1.41 . . . . 0.0 114.965 -174.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.27 129.38 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.045 1.922 . . . . 0.0 112.111 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.3 mt -116.22 133.64 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.338 1.855 . . . . 0.0 109.094 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 86.3 p -112.13 143.48 43.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -107.69 152.6 24.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.351 1.061 . . . . 0.0 111.557 170.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.99 158.55 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.187 1.795 . . . . 0.0 111.057 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -75.1 115.7 15.02 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -76.35 136.22 39.54 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.538 1.135 . . . . 0.0 112.198 -175.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -101.5 5.11 41.74 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.095 1.758 . . . . 0.0 113.346 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -71.12 -17.73 62.55 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.151 1.78 . . . . 0.0 114.05 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.63 1.972 . . . . 0.0 112.167 -176.246 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -61.42 160.09 28.93 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.061 3.174 . . . . 0.0 115.072 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.8 -171.19 36.68 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.382 0.991 . . . . 0.0 114.394 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 7.6 t 60.35 -166.74 0.19 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.562 1.545 . . . . 0.0 113.913 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.9 mtp 65.3 156.35 0.09 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 128.901 2.88 . . . . 0.0 115.668 -174.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.8 t -150.52 164.36 36.17 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.761 2.025 . . . . 0.0 109.39 166.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.04 157.46 43.62 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.154 1.382 . . . . 0.0 110.774 171.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.69 -176.15 3.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 -171.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -126.57 141.42 51.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 111.715 165.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.3 144.2 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.181 0.992 . . . . 0.0 109.778 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -135.46 138.25 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.173 1.389 . . . . 0.0 112.386 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.95 166.26 32.08 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.915 2.086 . . . . 0.0 110.453 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -133.46 130.95 39.31 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.337 -0.852 . . . . 0.0 111.361 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -74.43 162.21 29.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.786 1.634 . . . . 0.0 112.552 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -21.87 66.83 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.286 1.034 . . . . 0.0 113.036 172.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -73.74 -2.89 25.23 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.104 1.362 . . . . 0.0 113.441 171.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.12 5.59 89.55 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.588 1.566 . . . . 0.0 114.241 -175.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.25 119.86 5.16 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.688 1.137 . . . . 0.0 112.102 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -75.91 141.27 42.36 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.178 0.989 . . . . 0.0 111.086 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.77 135.85 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 126.599 1.96 . . . . 0.0 108.931 -177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -136.85 146.73 45.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.763 1.225 . . . . 0.0 111.811 -175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.4 mt -131.12 122.25 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.213 1.405 . . . . 0.0 108.856 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.03 166.61 29.95 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.762 1.172 . . . . 0.0 114.049 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.8 35.96 22.83 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.442 1.897 . . . . 0.0 113.859 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.03 126.25 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.168 1.387 . . . . 0.0 110.746 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -107.38 -22.33 12.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.557 1.143 . . . . 0.0 112.821 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -154.21 148.23 25.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.521 1.128 . . . . 0.0 113.454 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.72 137.78 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.224 1.81 . . . . 0.0 109.976 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -138.21 138.84 38.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.656 1.182 . . . . 0.0 112.001 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.76 120.4 35.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 110.772 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -89.81 -179.31 5.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.764 1.625 . . . . 0.0 110.516 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 79.65 0.26 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.584 1.087 . . . . 0.0 112.913 172.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.13 25.89 30.16 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.107 1.337 . . . . 0.0 114.83 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.43 160.41 43.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.673 1.589 . . . . 0.0 111.665 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.47 144.0 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 124.387 1.075 . . . . 0.0 111.061 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -121.34 141.74 50.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.231 1.812 . . . . 0.0 111.138 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.6 t -135.33 132.21 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.951 2.1 . . . . 0.0 109.776 -173.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.0 m -134.81 133.22 39.57 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.244 0.545 . . . . 0.0 111.768 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.4 p -85.9 165.39 16.82 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 113.645 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.38 -20.02 26.76 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.452 1.901 . . . . 0.0 113.419 169.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -107.6 24.04 13.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.757 1.623 . . . . 0.0 112.955 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 63.21 17.23 10.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.897 2.079 . . . . 0.0 115.895 172.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.96 133.65 36.87 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.588 -1.32 . . . . 0.0 110.312 168.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -115.15 140.8 48.77 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.434 1.093 . . . . 0.0 112.168 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -132.43 147.51 52.38 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.64 1.976 . . . . 0.0 109.879 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.06 144.68 36.97 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.592 0.757 . . . . 0.0 112.499 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -140.31 92.68 9.28 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.775 1.63 . . . . 0.0 111.266 -171.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.04 146.29 94.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.106 2.538 . . . . 0.0 112.768 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.51 4.16 90.46 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.325 1.441 . . . . 0.0 114.705 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.37 166.42 10.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.633 1.217 . . . . 0.0 112.431 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 160.76 39.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.183 2.193 . . . . 0.0 110.331 165.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -72.42 115.45 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.36 -0.838 . . . . 0.0 108.744 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.0 -45.14 3.16 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.508 1.051 . . . . 0.0 113.894 -175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -142.9 149.87 39.04 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.657 1.183 . . . . 0.0 111.635 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.26 126.0 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 126.584 1.953 . . . . 0.0 108.314 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -136.94 100.7 4.36 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.219 1.008 . . . . 0.0 110.523 -173.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.648 1.179 . . . . 0.0 112.678 -174.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -72.2 -41.3 67.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.166 1.386 . . . . 0.0 111.842 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.3 t -80.41 -30.8 37.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.479 1.112 . . . . 0.0 112.485 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 31.72 42.93 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.152 1.358 . . . . 0.0 113.041 -171.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.4 t -129.96 143.43 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.865 1.266 . . . . 0.0 111.807 -168.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -122.32 119.75 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.209 1.803 . . . . 0.0 109.022 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -97.98 129.89 44.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.128 0.971 . . . . 0.0 110.792 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.0 mt -98.59 151.52 20.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.808 0.843 . . . . 0.0 111.694 172.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.7 159.12 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.751 1.62 . . . . 0.0 111.31 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -76.84 114.84 16.06 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.292 1.437 . . . . 0.0 111.388 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -83.32 147.67 27.8 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.054 1.342 . . . . 0.0 111.267 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -118.64 0.61 11.54 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.98 1.312 . . . . 0.0 114.025 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -75.8 -12.03 60.1 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.193 1.797 . . . . 0.0 113.032 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ptt85 . . . . . 0 N--CA 1.484 1.226 0 C-N-CA 127.52 2.328 . . . . 0.0 113.679 175.703 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 CA-C-O 120.016 -0.324 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.49 -12.51 18.66 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.209 3.273 . . . . 0.0 114.22 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.98 -141.9 22.0 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 119.015 0.825 . . . . 0.0 112.753 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 80.4 p -72.84 -21.56 60.94 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm -81.65 156.45 25.1 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.432 1.093 . . . . 0.0 112.02 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 91.5 m -121.55 173.94 7.09 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.957 1.703 . . . . 0.0 110.938 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.85 165.48 28.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.678 1.591 . . . . 0.0 110.288 168.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.13 -179.73 6.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.158 1.383 . . . . 0.0 112.053 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -118.37 147.37 43.6 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.426 1.09 . . . . 0.0 112.091 161.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -97.17 143.38 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.052 1.341 . . . . 0.0 110.359 170.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.74 137.76 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.483 1.513 . . . . 0.0 111.398 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.06 158.06 43.6 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.289 1.836 . . . . 0.0 110.985 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.2 m -133.68 126.71 31.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.874 0.87 . . . . 0.0 111.13 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -71.16 159.45 34.65 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.106 1.362 . . . . 0.0 112.75 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.96 -26.86 69.03 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.355 1.062 . . . . 0.0 112.849 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -72.9 -4.17 30.27 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.562 1.545 . . . . 0.0 113.519 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.04 4.1 82.14 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.846 1.689 . . . . 0.0 114.303 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.72 113.4 3.63 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 118.554 1.177 . . . . 0.0 112.096 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -81.21 142.08 33.54 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.147 0.979 . . . . 0.0 111.387 174.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -133.19 137.39 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.957 1.703 . . . . 0.0 109.768 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -134.91 144.52 47.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.757 1.223 . . . . 0.0 111.42 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -129.0 119.32 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.452 1.501 . . . . 0.0 108.07 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.64 171.31 37.77 Favored Glycine 0 N--CA 1.472 1.066 0 C-N-CA 124.361 0.981 . . . . 0.0 113.585 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 57.16 31.8 20.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.239 1.416 . . . . 0.0 114.195 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.36 127.17 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.164 1.786 . . . . 0.0 110.762 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tt -97.28 -35.3 10.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.365 1.466 . . . . 0.0 112.345 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -153.76 156.02 36.97 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -136.85 139.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.983 2.113 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -139.98 135.26 32.55 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.033 0.933 . . . . 0.0 111.963 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.81 139.74 30.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.523 1.129 . . . . 0.0 110.885 168.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -112.31 11.55 20.11 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.826 1.65 . . . . 0.0 113.526 -175.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.11 36.86 72.36 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.97 1.271 . . . . 0.0 113.117 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.95 -12.93 0.1 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.325 1.441 . . . . 0.0 114.043 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.68 162.06 41.75 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.657 1.983 . . . . 0.0 110.828 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -114.03 138.83 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.407 1.083 . . . . 0.0 110.942 167.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.71 144.02 42.93 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.14 2.176 . . . . 0.0 110.603 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 62.7 t -135.61 127.13 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.942 1.697 . . . . 0.0 109.313 -174.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.0 m -128.76 129.04 45.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.302 1.041 . . . . 0.0 111.481 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.1 p -86.21 164.06 17.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.845 1.258 . . . . 0.0 112.752 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -69.48 -10.7 59.2 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 171.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -85.94 7.21 25.15 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.611 1.564 . . . . 0.0 112.709 168.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.309 1.9 p30 58.46 13.85 2.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 129.139 2.976 . . . . 0.0 116.099 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -70.1 141.56 52.72 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.105 -0.997 . . . . 0.0 110.682 164.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -129.88 144.88 51.54 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.916 1.286 . . . . 0.0 112.077 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -132.77 150.33 52.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.742 2.017 . . . . 0.0 109.596 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.1 144.02 33.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.639 0.776 . . . . 0.0 112.678 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.01 110.07 8.47 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.223 1.409 . . . . 0.0 110.967 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -72.12 147.82 49.18 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.022 2.481 . . . . 0.0 112.111 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.85 3.48 90.49 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.842 1.21 . . . . 0.0 114.857 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -98.06 164.52 12.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.522 1.161 . . . . 0.0 113.042 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.69 159.75 41.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.416 2.286 . . . . 0.0 110.17 165.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.89 114.2 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.05 -42.68 3.47 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.252 0.93 . . . . 0.0 114.249 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -146.33 145.26 30.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.784 1.234 . . . . 0.0 112.116 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -136.07 114.18 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.59 1.556 . . . . 0.0 109.1 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.38 93.33 4.24 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.369 1.468 . . . . 0.0 109.775 -173.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.99 -34.61 73.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.623 -0.673 . . . . 0.0 112.423 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.44 -45.18 94.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.314 1.045 . . . . 0.0 112.324 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 m -81.96 -25.51 34.76 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.644 1.178 . . . . 0.0 113.635 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.57 39.8 55.36 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.388 0.994 . . . . 0.0 113.283 -171.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.13 138.43 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.471 1.108 . . . . 0.0 111.837 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.32 119.79 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.058 1.743 . . . . 0.0 108.736 174.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.7 m -102.19 127.28 49.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.294 1.037 . . . . 0.0 111.211 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 mt -97.43 151.37 20.04 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.853 0.861 . . . . 0.0 111.451 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.58 160.04 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.048 1.739 . . . . 0.0 110.986 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -74.88 120.83 20.95 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.823 0.849 . . . . 0.0 111.473 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.91 142.89 51.1 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.211 1.404 . . . . 0.0 112.443 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -122.31 6.18 9.65 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.873 1.269 . . . . 0.0 114.394 -170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -69.15 -42.74 75.56 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.32 1.048 . . . . 0.0 110.368 173.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.374 1.87 . . . . 0.0 112.782 -179.592 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 CA-C-O 118.705 -1.053 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -62.5 137.1 62.65 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.937 2.425 . . . . 0.0 111.653 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 76.31 6.58 83.86 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.637 1.113 . . . . 0.0 115.512 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 97.6 p -138.51 -40.01 0.51 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.174 1.487 . . . . 0.0 113.547 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp -81.75 156.08 25.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.816 0.847 . . . . 0.0 111.483 163.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.2 t -150.28 172.89 14.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.126 1.37 . . . . 0.0 110.946 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 ptm -151.98 156.57 40.28 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.988 1.715 . . . . 0.0 111.197 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.94 -176.12 4.26 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 112.373 -172.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -124.47 148.36 47.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.351 1.06 . . . . 0.0 112.028 163.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.72 143.7 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.358 1.063 . . . . 0.0 110.427 171.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.63 138.27 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.479 1.511 . . . . 0.0 111.638 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.34 162.97 39.96 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.417 1.887 . . . . 0.0 111.219 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 m -137.06 131.3 32.57 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.922 0.889 . . . . 0.0 110.608 174.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -67.41 163.02 21.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.35 1.46 . . . . 0.0 112.797 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -27.01 68.41 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.142 0.977 . . . . 0.0 112.734 170.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -76.9 -2.56 34.21 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.414 1.485 . . . . 0.0 113.935 173.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.35 81.15 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.174 1.368 . . . . 0.0 114.592 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.66 109.92 2.92 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 118.7 1.25 . . . . 0.0 112.241 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -75.05 138.06 41.9 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.149 0.979 . . . . 0.0 111.411 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -136.82 137.32 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.019 1.728 . . . . 0.0 109.927 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -133.42 143.84 49.14 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.429 1.092 . . . . 0.0 111.666 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -122.68 118.93 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.355 1.462 . . . . 0.0 108.471 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 167.54 36.3 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.566 1.079 . . . . 0.0 114.391 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.26 34.42 20.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.087 1.755 . . . . 0.0 114.498 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.75 126.02 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 110.202 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 tp -107.16 -27.33 10.64 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.647 1.179 . . . . 0.0 112.767 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -155.1 158.27 38.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.332 1.053 . . . . 0.0 112.806 167.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.38 142.4 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.481 1.913 . . . . 0.0 110.341 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -124.15 152.48 42.77 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.72 2.008 . . . . 0.0 112.156 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.61 139.58 50.35 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.124 1.37 . . . . 0.0 110.659 162.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -113.65 12.9 18.55 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.657 1.583 . . . . 0.0 112.293 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.64 -34.43 2.94 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 126.482 1.992 . . . . 0.0 115.054 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.1 -0.96 22.45 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.473 1.511 . . . . 0.0 114.664 171.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.7 168.86 26.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.754 1.622 . . . . 0.0 111.674 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m -123.28 159.39 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.028 0.931 . . . . 0.0 112.52 162.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -135.11 134.19 40.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.564 1.946 . . . . 0.0 110.234 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -122.86 130.13 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.609 1.964 . . . . 0.0 109.862 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -126.0 128.5 47.56 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.912 0.885 . . . . 0.0 111.335 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -87.39 165.67 15.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 122.171 0.986 . . . . 0.0 113.076 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.23 -20.78 44.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.77 2.028 . . . . 0.0 113.506 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.34 22.11 16.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.08 1.752 . . . . 0.0 113.214 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.82 19.79 11.73 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.999 2.12 . . . . 0.0 115.549 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.88 141.01 40.76 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.019 -1.051 . . . . 0.0 110.193 166.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -124.4 135.78 53.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.517 1.127 . . . . 0.0 111.294 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -129.15 142.89 50.74 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.817 1.647 . . . . 0.0 109.812 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.17 44.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.793 0.837 . . . . 0.0 112.525 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.85 93.25 8.44 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.41 1.084 . . . . 0.0 111.244 -173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.03 143.16 94.71 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.351 2.701 . . . . 0.0 111.894 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.1 1.58 90.04 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.44 164.09 11.94 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.37 1.085 . . . . 0.0 111.646 167.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.07 157.67 45.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.748 2.019 . . . . 0.0 111.152 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.73 107.35 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.45 -42.93 5.05 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.08 0.848 . . . . 0.0 113.763 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -146.87 149.65 33.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.52 1.528 . . . . 0.0 111.45 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -132.78 128.68 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.712 2.005 . . . . 0.0 108.425 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -129.69 110.08 11.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.787 1.235 . . . . 0.0 109.912 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.68 -24.04 45.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.244 1.418 . . . . 0.0 112.951 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -79.89 -40.97 27.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.674 1.19 . . . . 0.0 111.455 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -79.92 -26.07 40.28 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.23 43.86 30.68 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.127 0.87 . . . . 0.0 112.96 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.6 t -132.81 138.87 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.11 1.364 . . . . 0.0 111.187 -171.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.7 mt -123.41 117.08 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.861 1.665 . . . . 0.0 108.841 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.5 m -99.84 119.66 38.53 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.71 1.204 . . . . 0.0 110.669 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.66 146.73 24.91 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.66 0.784 . . . . 0.0 111.353 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.83 159.06 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.905 1.682 . . . . 0.0 111.233 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.46 115.78 11.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.022 0.929 . . . . 0.0 112.17 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.47 144.41 28.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.413 1.085 . . . . 0.0 111.96 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -96.07 6.16 49.47 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.538 1.535 . . . . 0.0 113.378 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -80.33 -4.47 53.56 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.682 1.993 . . . . 0.0 114.612 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.152 1.781 . . . . 0.0 112.813 175.101 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 CA-C-O 119.732 -0.482 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -60.33 154.63 51.5 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 124.247 3.298 . . . . 0.0 114.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.6 147.63 11.55 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.691 1.139 . . . . 0.0 112.331 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 34.6 t -74.77 127.21 32.6 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.844 0.858 . . . . 0.0 112.43 -176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.2 mmm -134.08 148.78 51.07 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.662 1.985 . . . . 0.0 111.51 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 71.3 m -114.25 19.87 15.99 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.085 1.354 . . . . 0.0 113.262 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.57 132.82 52.72 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.803 0.841 . . . . 0.0 111.782 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.03 174.1 7.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.198 0.999 . . . . 0.0 113.446 -168.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.47 142.68 35.74 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.534 0.734 . . . . 0.0 110.705 152.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.14 141.99 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 109.741 165.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.47 140.18 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.303 1.441 . . . . 0.0 111.675 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.57 162.77 39.0 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.621 . . . . 0.0 111.703 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.1 m -118.65 133.68 55.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.704 1.201 . . . . 0.0 110.969 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -77.47 162.33 27.26 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.42 1.488 . . . . 0.0 112.802 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.16 68.68 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.064 0.946 . . . . 0.0 112.759 166.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -70.14 -10.29 58.33 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.15 1.78 . . . . 0.0 113.737 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.7 5.28 90.08 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 125.187 1.375 . . . . 0.0 114.289 -168.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.4 172.25 55.03 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.567 1.08 . . . . 0.0 112.841 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -117.7 146.09 43.97 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.769 1.228 . . . . 0.0 111.54 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -134.29 140.14 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.368 1.467 . . . . 0.0 109.689 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -138.8 152.54 47.98 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.933 1.293 . . . . 0.0 113.231 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 39.1 mt -130.68 127.19 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.087 1.755 . . . . 0.0 108.45 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.02 171.73 27.42 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.678 1.132 . . . . 0.0 113.676 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.54 37.37 28.79 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.703 1.601 . . . . 0.0 114.461 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.41 121.94 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.701 1.6 . . . . 0.0 112.0 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -87.84 -32.4 19.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 112.994 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.85 154.06 33.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -134.74 141.99 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.795 2.038 . . . . 0.0 109.503 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -135.12 132.3 37.93 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.354 1.062 . . . . 0.0 111.084 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.05 110.33 22.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 110.043 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 172.61 8.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.616 1.566 . . . . 0.0 110.968 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.26 47.03 1.32 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.134 1.349 . . . . 0.0 114.75 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.01 -3.09 0.13 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.011 1.291 . . . . 0.0 115.886 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 160.7 25.45 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.546 1.673 . . . . 0.0 112.173 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.95 144.63 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.731 0.812 . . . . 0.0 110.751 163.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -122.93 146.96 47.14 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.433 1.893 . . . . 0.0 110.694 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.06 131.85 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.014 1.725 . . . . 0.0 109.815 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.9 m -125.99 129.65 49.63 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.983 0.913 . . . . 0.0 112.096 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.9 p -90.73 169.0 11.33 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.03 1.332 . . . . 0.0 114.217 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -56.13 -21.9 25.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.407 2.283 . . . . 0.0 114.283 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -106.9 19.18 20.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.885 1.674 . . . . 0.0 113.498 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 61.54 13.58 5.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.205 2.202 . . . . 0.0 115.675 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -76.12 142.71 41.58 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.892 -1.13 . . . . 0.0 110.716 167.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -122.1 143.01 49.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.307 1.443 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -129.95 151.29 50.66 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.375 1.87 . . . . 0.0 109.938 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.45 148.22 35.78 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.18 102.95 7.35 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 125.724 1.61 . . . . 0.0 111.007 -170.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.23 145.21 59.46 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.135 2.557 . . . . 0.0 112.383 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.64 3.18 78.23 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.887 1.232 . . . . 0.0 115.731 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.33 163.56 13.02 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.771 1.285 . . . . 0.0 112.505 171.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.89 160.6 38.86 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.613 2.365 . . . . 0.0 109.704 168.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.25 119.72 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.96 -41.74 3.23 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.545 1.069 . . . . 0.0 114.857 -175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -150.12 145.6 26.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.444 1.098 . . . . 0.0 112.083 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -133.33 114.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 126.214 1.806 . . . . 0.0 108.883 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -109.59 98.28 7.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.961 1.305 . . . . 0.0 110.792 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.64 -30.92 69.73 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.529 -0.732 . . . . 0.0 111.863 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -64.43 -18.54 64.82 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -122.28 -18.28 6.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.624 1.17 . . . . 0.0 113.935 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.56 42.18 73.45 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.837 0.732 . . . . 0.0 112.775 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -125.47 134.26 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.498 1.119 . . . . 0.0 111.027 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.35 117.31 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.289 1.436 . . . . 0.0 109.063 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.3 t -103.4 129.89 50.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.725 1.21 . . . . 0.0 111.384 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.7 mt -99.34 150.49 22.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.18 0.992 . . . . 0.0 112.206 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.4 161.45 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.311 1.844 . . . . 0.0 111.52 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.78 118.87 14.11 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 111.607 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -59.49 129.49 42.22 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.497 1.519 . . . . 0.0 113.431 -175.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -91.32 0.66 57.48 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -172.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -75.93 -21.07 57.43 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.436 1.094 . . . . 0.0 113.77 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 126.15 1.78 . . . . 0.0 113.38 -176.177 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 CA-C-O 119.786 -0.452 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -59.48 -16.88 38.03 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 124.831 3.687 . . . . 0.0 117.093 -171.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -71.54 -18.41 77.08 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 124.273 0.939 . . . . 0.0 114.419 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.8 p -81.66 164.56 21.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.768 1.227 . . . . 0.0 112.386 174.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -146.86 166.44 26.7 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.35 1.46 . . . . 0.0 111.879 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.9 t -139.43 168.89 18.81 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.243 1.817 . . . . 0.0 110.897 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptm -148.18 150.58 34.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.767 1.627 . . . . 0.0 110.754 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.43 -179.15 5.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.5 1.52 . . . . 0.0 112.527 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -109.06 143.91 37.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.655 0.782 . . . . 0.0 111.732 161.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -91.12 143.09 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.359 1.464 . . . . 0.0 110.115 169.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.75 137.6 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.714 1.206 . . . . 0.0 111.024 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.76 166.32 31.72 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.029 1.732 . . . . 0.0 111.59 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m -135.84 132.41 36.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.149 0.98 . . . . 0.0 111.077 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.93 163.1 22.81 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.831 1.653 . . . . 0.0 112.73 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.38 -27.06 68.81 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.234 1.014 . . . . 0.0 112.658 170.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -74.0 -5.47 41.6 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.519 1.928 . . . . 0.0 114.293 172.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.72 6.19 85.72 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.61 1.576 . . . . 0.0 114.751 -176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.29 115.95 4.3 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 118.181 0.99 . . . . 0.0 112.324 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -80.59 139.84 36.07 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.901 0.88 . . . . 0.0 111.498 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.9 t -134.51 140.68 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 126.371 1.868 . . . . 0.0 110.045 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -137.51 135.14 36.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.829 1.652 . . . . 0.0 110.378 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -131.05 117.78 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.19 1.396 . . . . 0.0 109.093 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.03 167.5 39.96 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.373 0.987 . . . . 0.0 114.22 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 55.93 35.1 24.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.067 1.747 . . . . 0.0 114.863 171.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.2 129.92 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.581 1.552 . . . . 0.0 111.11 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.7 mt -97.52 -30.23 13.0 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.1 0.96 . . . . 0.0 113.308 174.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -157.31 150.51 23.73 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -139.17 139.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.973 1.709 . . . . 0.0 110.077 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -125.35 147.9 48.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.188 1.795 . . . . 0.0 110.146 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.58 105.5 12.52 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.219 1.408 . . . . 0.0 108.854 165.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -72.91 176.8 5.36 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.911 1.284 . . . . 0.0 110.873 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 43.06 0.84 Allowed Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.83 1.205 . . . . 0.0 115.675 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.26 -6.5 0.13 Allowed Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.412 1.325 . . . . 0.0 116.412 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 152.36 22.38 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.394 1.597 . . . . 0.0 111.942 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.9 m -93.77 157.49 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 121.704 -0.623 . . . . 0.0 112.382 167.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -134.18 135.55 43.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.151 2.18 . . . . 0.0 110.084 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -129.1 134.8 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.942 2.097 . . . . 0.0 109.788 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -130.56 130.68 44.39 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.715 0.806 . . . . 0.0 112.557 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.3 p -91.82 166.94 12.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.94 -28.14 55.56 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.777 2.031 . . . . 0.0 113.32 170.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -100.09 18.29 18.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.665 1.586 . . . . 0.0 113.101 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.33 28.57 18.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.888 2.075 . . . . 0.0 114.7 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -79.57 140.75 37.08 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.128 -0.982 . . . . 0.0 110.197 164.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -116.08 136.34 53.11 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.848 1.259 . . . . 0.0 111.398 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -130.49 141.87 50.49 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.605 1.562 . . . . 0.0 109.607 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.09 143.62 30.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.312 0.645 . . . . 0.0 112.666 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -144.55 114.02 5.15 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.351 1.06 . . . . 0.0 111.394 -169.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.86 151.52 84.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.007 2.471 . . . . 0.0 113.876 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.97 12.27 83.41 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.859 1.218 . . . . 0.0 115.784 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 161.42 15.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.464 1.132 . . . . 0.0 113.001 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 164.25 30.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.054 2.142 . . . . 0.0 110.71 166.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.0 mt -74.33 121.83 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.13 -0.982 . . . . 0.0 109.503 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.79 -38.4 3.9 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.777 1.18 . . . . 0.0 114.227 -177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.97 148.37 32.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.149 1.38 . . . . 0.0 111.916 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.59 119.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.031 1.732 . . . . 0.0 107.659 167.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -129.02 100.17 5.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.163 . . . . 0.0 110.196 -174.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.6 mt -85.96 -13.48 47.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.723 1.209 . . . . 0.0 113.438 -174.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -70.69 -46.86 62.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.729 1.212 . . . . 0.0 110.96 167.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.54 -32.19 47.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.826 1.25 . . . . 0.0 113.626 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.74 41.78 10.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.718 1.151 . . . . 0.0 112.914 -172.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.1 141.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.165 1.386 . . . . 0.0 111.538 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -119.13 122.4 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 126.152 1.781 . . . . 0.0 108.173 171.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.5 m -109.0 128.07 54.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.04 0.936 . . . . 0.0 110.899 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.4 mt -106.85 148.27 28.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.665 1.186 . . . . 0.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -136.24 160.25 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 126.248 1.819 . . . . 0.0 111.097 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.21 119.58 13.71 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.492 0.717 . . . . 0.0 112.401 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -68.58 107.81 3.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.923 1.289 . . . . 0.0 110.219 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -90.05 12.11 18.69 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.198 0.999 . . . . 0.0 113.22 -173.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -74.79 -17.24 60.65 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.146 1.778 . . . . 0.0 112.497 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.529 1.931 . . . . 0.0 112.623 178.826 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 119.763 -0.465 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.11 -24.61 20.13 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.487 2.791 . . . . 0.0 113.904 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 66.48 -163.74 42.58 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.526 1.06 . . . . 0.0 113.853 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 37.9 m -67.48 136.65 54.95 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.116 0.966 . . . . 0.0 111.989 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -154.66 169.22 24.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.52 1.528 . . . . 0.0 111.145 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 74.1 m -138.3 169.28 18.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.136 1.375 . . . . 0.0 111.808 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.13 161.03 40.48 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.375 1.47 . . . . 0.0 110.492 167.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.12 178.72 6.86 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.228 1.411 . . . . 0.0 112.367 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -110.08 137.32 48.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 111.582 164.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 t -89.94 143.53 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.683 1.193 . . . . 0.0 110.095 172.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -127.72 136.3 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.435 1.494 . . . . 0.0 110.205 166.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -149.58 162.8 39.47 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.104 1.362 . . . . 0.0 111.76 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 42.3 m -134.69 130.1 35.78 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.899 0.88 . . . . 0.0 110.525 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -66.67 163.23 19.44 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.384 1.474 . . . . 0.0 112.509 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.54 67.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.913 0.885 . . . . 0.0 113.1 171.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -77.31 -4.23 43.98 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.1 1.76 . . . . 0.0 114.003 172.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.5 78.06 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.564 1.554 . . . . 0.0 114.763 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.63 115.04 4.06 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 118.614 1.207 . . . . 0.0 112.829 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.87 139.18 34.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.605 1.162 . . . . 0.0 112.171 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t -139.26 146.05 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.08 1.752 . . . . 0.0 110.691 -173.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -127.42 148.16 50.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.018 1.327 . . . . 0.0 111.96 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.3 mt -135.47 120.68 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.183 1.393 . . . . 0.0 109.107 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.31 168.83 37.15 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.53 1.062 . . . . 0.0 114.304 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 56.96 29.5 16.45 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.447 1.499 . . . . 0.0 114.955 173.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 99.7 t -75.04 124.71 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.88 1.272 . . . . 0.0 110.828 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 30.0 tp -94.49 -34.85 12.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.528 1.531 . . . . 0.0 112.426 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -156.47 154.04 29.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 122.101 0.953 . . . . 0.0 112.926 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -138.32 138.42 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.607 1.963 . . . . 0.0 109.503 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -136.77 120.59 17.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.14 20.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.644 1.178 . . . . 0.0 110.478 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -87.85 -176.54 5.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.741 1.616 . . . . 0.0 110.9 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.15 52.17 Favored Glycine 0 CA--C 1.542 1.776 0 O-C-N 120.609 -1.307 . . . . 0.0 116.203 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.58 18.09 0.21 Allowed Glycine 0 CA--C 1.539 1.56 0 CA-C-N 118.43 1.115 . . . . 0.0 115.166 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 158.53 33.49 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 0.0 111.911 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.9 138.68 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.554 0.742 . . . . 0.0 111.362 163.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -106.83 140.0 40.36 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.747 2.019 . . . . 0.0 110.171 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.3 t -131.42 122.15 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 126.498 1.919 . . . . 0.0 109.495 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.4 m -126.58 131.73 51.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.977 0.911 . . . . 0.0 112.172 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.9 p -91.85 161.29 14.91 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.288 1.435 . . . . 0.0 112.348 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -72.3 -4.09 27.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.35 7.48 38.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.231 1.412 . . . . 0.0 113.016 168.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 62.49 18.33 10.31 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.148 2.179 . . . . 0.0 114.463 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.6 138.13 37.34 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.874 -1.141 . . . . 0.0 110.152 163.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -132.37 143.42 49.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.727 1.211 . . . . 0.0 111.763 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -127.08 149.39 49.95 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.407 1.883 . . . . 0.0 109.97 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.85 142.03 42.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.987 0.915 . . . . 0.0 112.502 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -138.95 94.69 9.89 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.155 1.382 . . . . 0.0 111.165 -169.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -59.15 144.55 99.34 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.243 2.629 . . . . 0.0 113.01 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.84 12.99 82.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.618 1.104 . . . . 0.0 115.251 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -110.02 164.4 12.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.723 1.209 . . . . 0.0 112.837 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 162.54 35.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.056 2.142 . . . . 0.0 110.461 165.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.15 123.58 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.862 -1.149 . . . . 0.0 109.087 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.85 -35.44 4.01 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.433 1.016 . . . . 0.0 114.397 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -148.73 156.81 42.88 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.502 1.151 . . . . 0.0 112.163 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.39 124.27 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.179 164.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -120.51 86.96 2.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.273 1.829 . . . . 0.0 109.462 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -69.2 -23.16 63.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.756 0.822 . . . . 0.0 112.206 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -58.83 -28.55 66.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.041 1.736 . . . . 0.0 113.03 167.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -108.84 -24.29 11.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.023 1.729 . . . . 0.0 113.921 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.96 38.22 20.03 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.754 1.168 . . . . 0.0 113.208 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.58 140.83 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.789 1.236 . . . . 0.0 112.268 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.8 mt -123.39 130.5 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.533 1.933 . . . . 0.0 108.929 172.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.0 m -111.28 128.9 56.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.075 0.95 . . . . 0.0 111.015 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.86 152.31 19.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.841 0.856 . . . . 0.0 111.789 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -130.5 162.51 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.456 1.902 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.12 114.61 16.11 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.877 0.871 . . . . 0.0 110.98 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -74.35 146.36 43.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.777 0.831 . . . . 0.0 111.593 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -144.89 36.65 1.15 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.007 1.723 . . . . 0.0 111.827 -166.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.6 -25.5 63.99 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.885 1.674 . . . . 0.0 114.081 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.214 1.806 . . . . 0.0 112.138 -173.015 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -66.6 -25.21 47.53 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.66 2.907 . . . . 0.0 113.737 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.9 -10.5 84.97 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.683 1.135 . . . . 0.0 115.078 174.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.9 m -79.76 136.35 36.73 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.643 1.577 . . . . 0.0 110.141 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ptm -162.08 158.59 25.06 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 130.679 3.592 . . . . 0.0 109.939 -7.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -113.95 171.7 7.44 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.56 1.144 . . . . 0.0 111.937 168.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.46 165.73 26.6 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.309 1.444 . . . . 0.0 110.058 163.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.06 168.46 19.69 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -91.56 139.17 30.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.912 1.685 . . . . 0.0 109.649 163.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.89 141.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.104 1.362 . . . . 0.0 109.765 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.64 143.78 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.239 1.016 . . . . 0.0 112.745 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -150.97 165.73 32.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.162 2.185 . . . . 0.0 110.776 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 m -134.42 132.05 38.89 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.462 0.705 . . . . 0.0 111.495 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -71.56 161.08 31.58 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.872 1.669 . . . . 0.0 112.847 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.11 68.96 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.489 1.116 . . . . 0.0 113.117 172.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -72.92 -6.11 42.99 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.795 1.638 . . . . 0.0 113.906 171.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.43 6.09 74.51 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.758 1.647 . . . . 0.0 114.264 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.97 122.75 6.26 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 118.575 1.188 . . . . 0.0 112.181 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -77.15 146.7 36.96 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.116 0.958 . . . . 0.0 111.305 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -134.84 135.09 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.088 1.755 . . . . 0.0 108.777 177.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.41 152.83 44.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.024 0.93 . . . . 0.0 113.187 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.3 mt -131.74 124.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 0.0 108.527 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.49 170.9 35.9 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.298 0.951 . . . . 0.0 113.51 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.05 31.67 20.99 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.2 t -75.13 131.53 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.948 1.699 . . . . 0.0 111.98 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.1 mt -99.45 -23.23 15.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.6 1.16 . . . . 0.0 114.024 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -152.59 146.81 25.51 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.59 130.13 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.426 1.891 . . . . 0.0 109.008 171.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -139.05 130.48 27.06 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.157 0.983 . . . . 0.0 111.656 -174.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.1 147.84 31.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.677 0.791 . . . . 0.0 110.974 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -130.06 -175.7 3.7 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.37 2.268 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.58 75.86 0.21 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.762 1.172 . . . . 0.0 113.215 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.86 24.63 27.12 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.535 1.541 . . . . 0.0 115.27 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.33 169.12 24.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.902 1.281 . . . . 0.0 112.862 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -124.19 141.93 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 125.009 1.324 . . . . 0.0 111.04 167.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -114.73 146.84 40.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.089 2.156 . . . . 0.0 111.013 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.4 t -139.95 136.72 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 126.611 1.964 . . . . 0.0 109.472 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.6 m -137.25 134.06 35.76 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.883 1.219 . . . . 0.0 112.998 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -87.79 169.68 11.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.918 1.687 . . . . 0.0 113.505 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.75 -12.15 57.54 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 171.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -83.33 3.16 32.75 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.909 1.283 . . . . 0.0 113.014 169.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 63.14 17.43 10.16 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.218 2.207 . . . . 0.0 114.415 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -79.94 116.96 20.38 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.707 -1.245 . . . . 0.0 110.305 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -91.59 143.08 26.94 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.367 1.067 . . . . 0.0 112.146 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -133.43 148.24 51.76 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.902 2.081 . . . . 0.0 109.566 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.51 142.52 31.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.517 0.727 . . . . 0.0 112.472 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -138.53 109.82 8.07 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.166 1.386 . . . . 0.0 111.47 -170.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.22 149.51 45.84 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.013 2.475 . . . . 0.0 112.216 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.65 11.39 84.07 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 124.85 1.214 . . . . 0.0 115.302 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.41 164.22 12.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.938 1.295 . . . . 0.0 112.652 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.25 161.84 35.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.32 2.248 . . . . 0.0 110.099 165.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -73.97 114.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.321 -0.862 . . . . 0.0 108.969 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.51 -55.14 2.1 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.171 0.891 . . . . 0.0 113.178 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -143.94 147.22 33.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.264 1.025 . . . . 0.0 111.683 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.16 126.42 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.688 1.595 . . . . 0.0 108.836 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -135.96 103.74 5.47 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.148 0.979 . . . . 0.0 110.256 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.28 -30.09 54.14 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.214 1.406 . . . . 0.0 112.246 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -65.57 -41.58 92.74 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 0.0 111.39 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 t -80.26 -32.85 38.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.759 1.223 . . . . 0.0 113.177 172.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.28 32.24 29.01 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.529 1.538 . . . . 0.0 114.003 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.07 142.31 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.89 1.276 . . . . 0.0 111.834 -171.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -126.13 132.05 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 127.368 2.267 . . . . 0.0 108.839 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -118.61 123.7 45.64 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.498 1.119 . . . . 0.0 111.274 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.64 152.62 20.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.419 1.088 . . . . 0.0 111.705 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.52 159.03 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.751 1.621 . . . . 0.0 111.809 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -71.12 118.54 14.03 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.727 0.811 . . . . 0.0 111.661 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -70.5 131.23 43.71 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.12 0.968 . . . . 0.0 111.298 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -130.91 21.11 4.96 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.792 1.637 . . . . 0.0 112.571 -171.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -79.78 -30.89 40.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.991 1.716 . . . . 0.0 111.979 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.075 1.75 . . . . 0.0 114.094 176.026 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 CA-C-O 119.091 -0.838 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -60.05 -22.17 68.37 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.058 3.172 . . . . 0.0 115.731 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -73.6 -10.5 79.7 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.748 1.166 . . . . 0.0 114.669 172.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 15.0 m -125.68 -15.53 5.99 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.434 1.494 . . . . 0.0 114.212 -173.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptm -153.72 162.33 41.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.624 1.57 . . . . 0.0 112.221 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 45.0 t -117.42 157.52 26.07 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.275 1.43 . . . . 0.0 110.803 166.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -150.34 155.51 39.78 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.548 1.539 . . . . 0.0 110.527 167.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.34 172.21 11.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.921 1.289 . . . . 0.0 112.896 -171.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -106.64 134.24 50.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.519 1.128 . . . . 0.0 111.06 166.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -99.15 139.12 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.346 1.458 . . . . 0.0 109.931 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.88 139.38 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 111.813 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -151.43 164.75 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.532 1.933 . . . . 0.0 111.019 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m -133.08 132.37 41.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.991 0.916 . . . . 0.0 110.839 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -68.54 163.38 23.67 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.397 1.479 . . . . 0.0 112.448 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.05 -26.39 68.82 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.271 1.029 . . . . 0.0 112.664 168.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -72.36 -7.6 50.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.078 1.751 . . . . 0.0 114.168 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.69 6.88 82.48 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.547 1.546 . . . . 0.0 114.74 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.51 122.3 5.83 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 117.761 0.78 . . . . 0.0 112.118 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -79.76 142.03 35.76 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.788 1.294 . . . . 0.0 111.065 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t -130.17 135.57 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.011 1.724 . . . . 0.0 109.868 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -129.3 135.3 48.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.101 1.361 . . . . 0.0 110.444 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.28 117.77 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.74 1.216 . . . . 0.0 109.071 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.14 165.83 34.7 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.21 0.909 . . . . 0.0 113.77 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 55.44 34.12 22.34 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.756 1.622 . . . . 0.0 114.291 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.96 125.59 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.121 1.369 . . . . 0.0 111.019 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.4 mt -85.73 -31.53 22.37 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.394 1.077 . . . . 0.0 112.767 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -162.19 149.86 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 112.947 -172.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.49 152.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.827 1.651 . . . . 0.0 111.564 172.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -139.27 127.19 22.21 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.883 1.273 . . . . 0.0 111.388 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.89 138.11 34.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.56 1.144 . . . . 0.0 111.225 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -131.09 179.29 6.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.471 1.908 . . . . 0.0 110.861 -177.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.76 28.18 0.23 Allowed Glycine 0 CA--C 1.541 1.701 0 C-N-CA 126.026 1.774 . . . . 0.0 117.137 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.61 -0.1 0.04 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.402 1.477 . . . . 0.0 115.896 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.69 164.51 33.91 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.144 1.972 . . . . 0.0 112.997 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.12 141.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.422 1.489 . . . . 0.0 111.059 164.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -114.5 147.86 38.74 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.741 2.016 . . . . 0.0 111.135 171.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -141.58 136.8 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.454 1.901 . . . . 0.0 110.099 -171.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -134.39 131.64 38.46 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.674 1.124 . . . . 0.0 113.373 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.9 p -86.25 172.37 10.54 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.77 -29.92 12.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.985 2.514 . . . . 0.0 113.372 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -100.47 15.47 27.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.295 1.438 . . . . 0.0 113.003 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.02 21.26 10.38 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.957 2.103 . . . . 0.0 114.586 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.48 125.7 28.52 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.996 -1.065 . . . . 0.0 109.851 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -99.47 140.58 33.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.009 0.924 . . . . 0.0 112.334 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -128.82 150.23 50.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.122 1.769 . . . . 0.0 109.834 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.53 142.8 30.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.657 0.783 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -139.76 110.92 7.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.8 1.24 . . . . 0.0 111.404 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.8 149.84 54.85 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.856 2.371 . . . . 0.0 112.637 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.66 6.94 88.85 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.393 1.473 . . . . 0.0 115.288 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.43 164.28 11.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.608 1.204 . . . . 0.0 113.062 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.56 165.47 27.42 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.522 2.329 . . . . 0.0 110.068 162.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.1 mt -76.53 122.75 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.82 -39.14 3.93 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.133 0.873 . . . . 0.0 114.212 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -146.99 152.57 38.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.454 1.102 . . . . 0.0 112.335 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.15 138.18 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.351 1.46 . . . . 0.0 110.478 161.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -132.02 98.37 4.42 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.41 1.884 . . . . 0.0 108.672 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.23 -27.49 64.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.301 1.44 . . . . 0.0 111.802 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.87 -41.83 86.63 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.711 1.604 . . . . 0.0 111.417 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 38.3 m -89.95 -23.35 21.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.77 1.228 . . . . 0.0 113.992 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.98 42.46 19.9 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.664 1.126 . . . . 0.0 112.963 -172.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.97 143.16 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.159 1.384 . . . . 0.0 112.271 -170.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.9 mt -127.81 136.18 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.001 2.12 . . . . 0.0 109.384 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 14.6 m -118.35 126.86 52.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 174.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.5 mt -94.93 153.74 17.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.827 0.851 . . . . 0.0 111.579 171.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.81 161.46 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 126.55 1.94 . . . . 0.0 111.128 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -75.89 117.33 17.51 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.294 1.038 . . . . 0.0 111.106 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.16 140.98 45.54 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.946 1.298 . . . . 0.0 112.052 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -109.81 11.86 24.19 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.603 1.561 . . . . 0.0 113.223 -175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -72.6 -27.66 62.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.981 1.312 . . . . 0.0 113.481 -177.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.673 1.589 . . . . 0.0 112.546 -176.901 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 CA-C-O 119.873 -0.404 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.51 160.64 48.41 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 124.083 3.189 . . . . 0.0 112.789 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -66.24 153.14 52.08 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.073 0.844 . . . . 0.0 113.552 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.9 t -153.2 165.48 35.54 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.327 1.451 . . . . 0.0 111.549 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -65.05 164.15 13.43 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.466 1.506 . . . . 0.0 113.86 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.8 t -133.0 165.52 24.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.807 2.043 . . . . 0.0 109.658 168.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -144.45 153.08 41.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.367 1.067 . . . . 0.0 111.56 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.57 -174.59 3.28 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.675 1.59 . . . . 0.0 112.007 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -122.23 137.03 54.98 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.84 0.856 . . . . 0.0 111.675 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 t -82.57 144.68 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 110.133 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.87 138.0 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.312 1.445 . . . . 0.0 111.598 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -151.56 163.09 39.81 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.324 1.85 . . . . 0.0 109.963 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.0 m -135.06 134.0 39.91 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 121.353 -0.842 . . . . 0.0 111.755 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -69.08 162.56 26.68 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.171 1.788 . . . . 0.0 112.512 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.5 -27.14 69.06 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.267 1.027 . . . . 0.0 112.672 171.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -75.28 -4.08 37.02 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.0 1.72 . . . . 0.0 113.726 172.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.18 5.5 82.84 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.564 1.554 . . . . 0.0 114.505 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.05 118.67 4.85 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 118.327 1.064 . . . . 0.0 111.984 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 ttp-105 -78.99 143.49 35.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.282 1.041 . . . . 0.0 111.706 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.7 t -132.13 136.79 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.171 1.788 . . . . 0.0 108.839 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -137.37 149.27 46.86 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.568 1.147 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.4 mt -130.76 120.68 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.287 1.435 . . . . 0.0 108.825 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.56 165.9 37.4 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.938 0.78 . . . . 0.0 114.148 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 54.07 39.43 30.61 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.229 1.812 . . . . 0.0 113.687 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.54 127.65 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.084 1.754 . . . . 0.0 111.26 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -93.23 -36.17 12.73 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.255 1.022 . . . . 0.0 112.508 170.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -136.96 144.19 43.25 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.875 0.761 . . . . 0.0 112.889 -170.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.59 129.89 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.202 1.401 . . . . 0.0 108.883 173.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -136.57 119.83 16.75 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.94 0.896 . . . . 0.0 111.457 -169.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.6 135.74 36.12 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.275 0.56 . . . . 0.0 110.353 167.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -133.41 -169.46 2.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.009 1.724 . . . . 0.0 110.811 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.37 73.96 0.3 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.272 1.415 . . . . 0.0 113.794 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 18.3 32.52 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.662 1.601 . . . . 0.0 114.978 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.84 164.28 38.72 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.954 1.377 . . . . 0.0 112.597 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -113.44 136.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.197 0.999 . . . . 0.0 110.684 163.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -107.97 151.79 25.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.564 1.945 . . . . 0.0 110.894 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -140.53 133.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.146 1.778 . . . . 0.0 110.107 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.2 m -124.84 130.72 52.93 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.398 0.999 . . . . 0.0 111.989 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -88.53 167.65 13.24 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.134 1.374 . . . . 0.0 113.702 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tt -55.5 -28.75 56.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 113.411 169.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -85.89 7.15 25.23 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.903 1.681 . . . . 0.0 113.335 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 61.92 18.22 9.64 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.334 1.854 . . . . 0.0 114.697 -174.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.13 152.13 32.97 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.159 -0.963 . . . . 0.0 110.988 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -128.13 140.05 52.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.235 1.014 . . . . 0.0 112.369 -175.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -127.06 151.46 48.58 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.912 1.685 . . . . 0.0 109.487 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.07 143.76 30.6 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.768 0.827 . . . . 0.0 112.493 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.73 111.55 8.89 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.474 1.51 . . . . 0.0 111.084 -171.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.36 147.9 53.76 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.04 2.8 83.62 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.535 1.54 . . . . 0.0 115.611 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.3 mt -94.74 166.1 12.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.254 1.527 . . . . 0.0 112.945 174.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.26 162.22 35.52 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.784 2.434 . . . . 0.0 110.588 165.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -75.5 121.33 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.29 -43.43 3.23 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.409 1.004 . . . . 0.0 114.052 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -151.41 147.07 26.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.548 1.139 . . . . 0.0 112.38 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.3 t -126.77 130.41 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.818 2.047 . . . . 0.0 108.599 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -134.81 103.18 5.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.936 1.295 . . . . 0.0 110.123 -174.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.81 -27.1 44.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.421 1.488 . . . . 0.0 112.239 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -67.0 -49.19 66.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.868 0.867 . . . . 0.0 110.929 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -85.76 -23.08 27.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.51 1.124 . . . . 0.0 113.772 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.84 45.86 11.82 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.73 1.157 . . . . 0.0 113.304 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -133.87 142.79 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.595 1.158 . . . . 0.0 111.445 -173.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.8 mt -126.66 124.92 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.63 1.572 . . . . 0.0 109.176 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 t -109.41 128.58 55.24 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.021 1.328 . . . . 0.0 111.574 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -101.46 150.08 23.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.363 1.065 . . . . 0.0 111.984 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.59 161.58 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.979 1.712 . . . . 0.0 110.909 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -72.0 118.98 15.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.521 1.128 . . . . 0.0 111.535 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -63.49 123.59 19.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.182 1.393 . . . . 0.0 111.804 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -90.64 4.56 51.04 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -72.28 -22.58 61.19 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.726 1.21 . . . . 0.0 114.222 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.206 1.402 . . . . 0.0 112.839 -178.213 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 CA-C-O 119.814 -0.437 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -64.36 -30.49 63.05 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.342 2.695 . . . . 0.0 114.836 -174.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.74 -1.69 44.44 Favored Glycine 0 CA--C 1.543 1.822 0 C-N-CA 125.005 1.288 . . . . 0.0 115.726 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 33.0 t -156.47 150.93 25.57 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.467 1.907 . . . . 0.0 110.525 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -152.25 163.66 38.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.207 1.403 . . . . 0.0 112.162 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 79.0 m -129.52 170.6 13.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.149 1.78 . . . . 0.0 111.159 173.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -146.21 151.63 37.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.587 1.155 . . . . 0.0 110.561 163.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.7 177.42 5.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.199 1.399 . . . . 0.0 112.649 -171.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 132.71 56.49 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.414 1.085 . . . . 0.0 111.46 167.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.88 144.93 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.929 1.691 . . . . 0.0 110.342 173.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.48 140.54 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.161 1.384 . . . . 0.0 112.182 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -150.03 165.16 33.56 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.994 2.118 . . . . 0.0 110.639 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -134.67 134.77 41.5 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.515 0.726 . . . . 0.0 111.406 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -66.4 163.54 18.09 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.9 1.68 . . . . 0.0 112.401 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.8 68.93 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.129 0.972 . . . . 0.0 112.939 170.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -76.23 -4.26 40.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.072 1.749 . . . . 0.0 114.206 172.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.71 6.54 82.82 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.259 1.409 . . . . 0.0 114.613 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.63 119.59 5.15 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-N 118.347 1.073 . . . . 0.0 111.962 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttp-105 -79.59 143.25 34.93 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.415 1.107 . . . . 0.0 111.617 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t -132.72 139.68 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 126.352 1.861 . . . . 0.0 109.735 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -136.82 149.05 47.51 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.861 1.264 . . . . 0.0 112.213 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.3 mt -132.33 121.23 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.659 1.583 . . . . 0.0 108.727 175.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.22 170.13 33.98 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.23 0.919 . . . . 0.0 114.236 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 57.44 33.63 23.54 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.99 1.716 . . . . 0.0 114.634 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.84 129.14 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.287 1.835 . . . . 0.0 111.469 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -92.06 -29.94 16.29 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.603 1.161 . . . . 0.0 113.511 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.91 155.47 34.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.19 131.9 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.908 1.683 . . . . 0.0 109.409 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -119.79 143.12 48.01 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.749 1.62 . . . . 0.0 110.447 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.6 136.27 53.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.795 1.238 . . . . 0.0 112.21 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -102.96 179.72 4.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.368 1.867 . . . . 0.0 110.407 168.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.6 -13.54 45.87 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.856 -1.153 . . . . 0.0 115.42 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.06 32.77 0.29 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.952 1.263 . . . . 0.0 114.402 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.48 166.19 25.22 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.519 1.528 . . . . 0.0 112.11 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -129.51 160.48 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 164.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -132.66 140.21 48.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.888 2.075 . . . . 0.0 110.283 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -131.47 131.95 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.961 2.104 . . . . 0.0 110.058 -171.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -132.94 134.7 44.88 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.142 0.977 . . . . 0.0 112.589 -175.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 p -103.28 167.78 9.6 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.742 1.617 . . . . 0.0 112.929 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.74 -9.61 51.69 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -82.68 4.37 25.23 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.105 1.362 . . . . 0.0 113.587 171.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 62.46 15.61 7.95 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.778 2.031 . . . . 0.0 114.29 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.41 148.5 35.45 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.925 -1.109 . . . . 0.0 111.366 168.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -137.26 141.47 41.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.615 1.166 . . . . 0.0 112.012 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.0 148.65 50.1 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.568 1.947 . . . . 0.0 110.031 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.53 144.27 34.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.884 0.874 . . . . 0.0 112.319 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -140.14 104.24 6.69 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 124.898 1.279 . . . . 0.0 111.131 -171.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.45 143.41 47.43 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.457 2.105 . . . . 0.0 111.792 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.13 4.65 88.16 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.586 1.565 . . . . 0.0 114.62 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.56 161.75 13.62 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.658 1.229 . . . . 0.0 112.109 172.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.28 161.62 35.27 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.911 2.085 . . . . 0.0 110.258 164.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.39 115.55 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.39 -68.63 1.31 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.981 0.8 . . . . 0.0 112.516 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -140.95 141.84 34.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 111.878 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.54 132.86 69.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 127.256 2.223 . . . . 0.0 109.028 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.54 90.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.861 1.265 . . . . 0.0 108.827 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.53 -13.24 60.35 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.282 1.033 . . . . 0.0 113.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -71.4 -40.19 70.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.123 0.969 . . . . 0.0 110.852 172.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -83.05 -28.87 29.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.189 1.396 . . . . 0.0 113.69 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.93 30.31 23.67 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 126.006 1.765 . . . . 0.0 113.976 -174.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -118.08 142.6 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.836 1.654 . . . . 0.0 112.405 -169.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.8 mt -123.3 112.17 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.565 1.546 . . . . 0.0 109.038 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -96.24 121.61 38.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.22 1.408 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.33 151.71 21.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.22 159.02 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.716 1.606 . . . . 0.0 111.409 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.59 117.09 16.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.042 0.937 . . . . 0.0 111.469 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -77.91 139.35 39.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.188 0.995 . . . . 0.0 111.777 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -97.9 5.99 48.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.244 1.418 . . . . 0.0 114.065 -170.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -75.56 -24.8 56.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.322 1.449 . . . . 0.0 114.033 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.069 1.347 . . . . 0.0 112.165 175.655 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.198 -0.361 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.19 156.43 65.77 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.057 3.171 . . . . 0.0 112.68 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.98 148.64 44.89 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 123.872 0.748 . . . . 0.0 113.92 177.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.4 m -70.17 152.35 44.37 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.65 1.18 . . . . 0.0 113.122 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptm -156.14 166.67 32.77 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.981 1.712 . . . . 0.0 111.266 173.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.6 m -128.06 160.64 31.32 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.9 1.28 . . . . 0.0 111.621 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -150.76 160.09 44.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.272 1.429 . . . . 0.0 110.656 168.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.03 -179.43 5.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.866 1.266 . . . . 0.0 112.643 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -104.32 145.03 30.83 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 157.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -88.07 143.28 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.94 0.896 . . . . 0.0 109.484 163.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.01 138.95 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.492 1.517 . . . . 0.0 110.554 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -147.78 159.98 43.23 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.052 1.741 . . . . 0.0 110.703 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 m -131.28 129.69 41.84 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.507 0.723 . . . . 0.0 111.021 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -71.77 165.3 24.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.993 1.717 . . . . 0.0 112.887 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.03 -25.38 66.87 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.305 1.042 . . . . 0.0 112.782 167.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -68.7 -10.93 59.27 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.772 1.629 . . . . 0.0 113.575 172.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.24 7.46 88.45 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.897 1.237 . . . . 0.0 113.715 -168.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.44 123.77 6.29 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 118.501 1.151 . . . . 0.0 111.992 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -81.39 143.15 32.36 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.115 0.957 . . . . 0.0 111.338 175.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.5 t -134.52 139.49 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.447 1.899 . . . . 0.0 109.692 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -134.87 147.45 49.87 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.829 1.252 . . . . 0.0 112.107 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.22 120.72 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.591 1.556 . . . . 0.0 108.83 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.88 167.33 36.41 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.777 1.18 . . . . 0.0 115.095 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 54.27 34.99 21.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.385 1.874 . . . . 0.0 114.527 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.65 126.08 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.299 1.439 . . . . 0.0 111.254 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.6 mt -87.9 -37.01 16.83 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.121 0.969 . . . . 0.0 112.367 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.44 151.75 34.53 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -168.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.59 137.23 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.927 1.691 . . . . 0.0 109.392 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -130.6 124.57 32.04 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.239 1.815 . . . . 0.0 110.385 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.82 48.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.602 1.161 . . . . 0.0 111.581 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -86.59 -174.4 4.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.79 1.636 . . . . 0.0 111.001 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -14.96 53.17 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.864 -1.147 . . . . 0.0 114.988 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.21 37.51 0.17 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.566 1.079 . . . . 0.0 114.031 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.33 162.72 33.55 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.056 1.742 . . . . 0.0 110.895 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.88 140.89 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 111.711 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -119.19 145.51 45.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.238 2.215 . . . . 0.0 110.594 173.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.4 t -140.16 131.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.783 1.633 . . . . 0.0 109.649 -169.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.8 m -131.44 134.12 45.88 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.089 1.313 . . . . 0.0 113.483 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 p -85.49 172.09 11.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.692 1.597 . . . . 0.0 114.707 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -51.96 -26.08 9.69 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.647 2.379 . . . . 0.0 113.755 168.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.55 18.0 22.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 113.158 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 62.04 16.75 8.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.276 2.231 . . . . 0.0 114.935 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -78.7 117.44 19.84 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.146 -0.971 . . . . 0.0 110.359 174.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -95.1 142.15 27.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.894 0.878 . . . . 0.0 112.368 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -124.63 151.47 44.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.246 2.219 . . . . 0.0 109.493 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.55 139.75 31.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.998 0.919 . . . . 0.0 112.679 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -142.59 111.15 5.8 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.38 1.472 . . . . 0.0 111.623 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.68 150.95 51.47 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.846 2.364 . . . . 0.0 111.802 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 12.73 82.47 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.42 1.01 . . . . 0.0 114.989 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 mt -108.92 163.95 12.84 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.75 1.275 . . . . 0.0 113.121 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.36 163.67 33.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.021 2.128 . . . . 0.0 110.363 163.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -76.3 121.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.768 0.827 . . . . 0.0 109.586 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.8 -44.5 2.87 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.089 1.328 . . . . 0.0 114.174 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -150.06 145.15 26.21 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.399 1.08 . . . . 0.0 110.794 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.49 130.12 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.413 1.885 . . . . 0.0 108.44 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -138.33 99.65 3.91 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.692 0.797 . . . . 0.0 110.821 -165.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.56 -31.68 60.13 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.916 1.286 . . . . 0.0 111.526 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -65.09 -40.59 94.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.878 1.671 . . . . 0.0 112.502 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -97.94 -21.02 17.09 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.39 52.1 5.75 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.77 1.176 . . . . 0.0 113.572 -176.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.9 t -141.21 144.63 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.233 1.413 . . . . 0.0 111.949 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.02 127.69 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.594 1.157 . . . . 0.0 109.643 161.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.1 t -106.12 126.5 52.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.762 1.225 . . . . 0.0 110.7 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -101.6 150.51 23.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.362 1.465 . . . . 0.0 111.928 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.25 159.36 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.729 1.612 . . . . 0.0 111.181 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -75.33 114.82 14.29 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.74 1.216 . . . . 0.0 111.556 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.39 140.18 31.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.91 0.884 . . . . 0.0 112.173 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -101.5 9.44 41.34 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.019 1.328 . . . . 0.0 113.518 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -74.74 -18.47 60.49 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.57 1.548 . . . . 0.0 113.588 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.42 1.488 . . . . 0.0 112.345 -178.516 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 118.7 -1.055 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.92 157.99 31.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.064 3.176 . . . . 0.0 114.418 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 179.69 -170.25 41.53 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.112 1.339 . . . . 0.0 113.811 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 6.7 t 61.04 -174.82 0.12 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.119 1.768 . . . . 0.0 114.219 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 mtm 57.74 -174.56 0.08 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.389 2.276 . . . . 0.0 114.29 -171.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -122.36 153.99 38.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.794 1.238 . . . . 0.0 110.69 166.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.4 ptm -151.21 155.38 38.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.45 1.9 . . . . 0.0 110.101 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.65 -176.95 4.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.657 1.183 . . . . 0.0 112.496 -170.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -122.06 149.6 43.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.141 0.976 . . . . 0.0 112.86 165.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.6 t -95.39 144.65 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 110.559 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.12 137.5 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.121 1.368 . . . . 0.0 111.314 170.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -148.29 161.55 41.29 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.338 1.855 . . . . 0.0 110.876 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 m -133.17 129.03 37.27 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.986 0.914 . . . . 0.0 110.486 173.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -68.15 165.14 18.85 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.777 1.631 . . . . 0.0 113.69 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.43 -26.96 67.12 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.496 1.118 . . . . 0.0 113.002 163.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -68.79 -11.62 60.58 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.073 1.749 . . . . 0.0 113.701 171.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.78 5.98 88.89 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.224 1.392 . . . . 0.0 113.95 -170.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.51 118.22 4.58 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 118.72 1.26 . . . . 0.0 112.113 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -77.27 136.91 38.54 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.073 0.949 . . . . 0.0 111.034 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.0 t -136.18 137.99 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.062 1.745 . . . . 0.0 109.852 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.69 148.01 50.23 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.426 1.09 . . . . 0.0 111.758 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.6 mt -130.18 118.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.918 1.287 . . . . 0.0 108.969 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.23 169.69 40.13 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.245 0.926 . . . . 0.0 114.209 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 57.0 34.81 25.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.757 1.623 . . . . 0.0 114.575 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.07 131.21 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.36 1.464 . . . . 0.0 111.082 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -98.94 -28.68 13.32 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.232 1.413 . . . . 0.0 113.418 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -158.92 159.33 34.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.5 t -133.66 137.32 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 127.313 2.245 . . . . 0.0 109.52 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -129.28 131.74 47.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.808 1.643 . . . . 0.0 111.135 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.65 129.36 41.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.074 0.95 . . . . 0.0 110.685 168.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -110.7 170.62 7.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.73 . . . . 0.0 110.527 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.07 33.46 0.52 Allowed Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.387 1.47 . . . . 0.0 115.538 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.06 -1.3 0.03 OUTLIER Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.857 1.694 . . . . 0.0 115.686 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.54 163.83 29.94 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.393 1.596 . . . . 0.0 112.18 -175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -106.42 144.54 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.246 1.018 . . . . 0.0 110.881 158.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -125.52 145.98 49.86 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.978 2.111 . . . . 0.0 110.467 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.22 134.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.479 1.512 . . . . 0.0 110.433 -169.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.8 m -122.06 129.81 52.73 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.124 0.969 . . . . 0.0 112.324 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.4 p -91.55 166.39 12.86 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.01 1.324 . . . . 0.0 113.394 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.6 tp -55.96 -25.68 44.83 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.953 2.101 . . . . 0.0 113.953 169.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -101.86 19.99 17.25 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.564 1.546 . . . . 0.0 113.648 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t0 60.46 25.62 15.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.027 2.131 . . . . 0.0 114.662 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.26 143.03 31.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.083 -1.01 . . . . 0.0 110.279 165.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -114.1 137.01 52.3 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.374 1.07 . . . . 0.0 111.565 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -118.82 150.78 39.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.801 1.64 . . . . 0.0 110.16 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.25 141.2 28.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.732 0.813 . . . . 0.0 112.737 -176.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -140.46 96.45 7.78 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 125.525 1.53 . . . . 0.0 111.629 -170.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.82 144.14 99.5 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.447 2.764 . . . . 0.0 113.144 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 5.59 85.47 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.04 1.305 . . . . 0.0 115.465 175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.32 161.28 13.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.685 1.242 . . . . 0.0 112.742 170.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.83 158.06 45.13 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.386 2.275 . . . . 0.0 109.878 168.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.48 122.09 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.438 -0.788 . . . . 0.0 109.545 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.13 -42.67 2.36 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.541 1.067 . . . . 0.0 114.327 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -146.92 146.56 30.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.589 1.156 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.31 137.48 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.403 1.881 . . . . 0.0 109.013 171.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -145.91 96.79 2.86 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.221 1.008 . . . . 0.0 109.973 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.9 mt -79.72 -19.32 49.13 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.086 1.355 . . . . 0.0 112.694 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -69.81 -43.99 70.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.955 1.702 . . . . 0.0 110.302 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -78.52 -32.44 48.04 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.184 1.394 . . . . 0.0 112.999 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.15 36.66 17.36 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.073 1.321 . . . . 0.0 113.637 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.52 142.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.204 1.402 . . . . 0.0 112.673 -170.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.19 126.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.854 1.662 . . . . 0.0 109.509 168.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.9 m -107.66 132.81 52.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.748 1.219 . . . . 0.0 111.712 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.6 mt -101.86 154.82 18.58 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.347 1.059 . . . . 0.0 112.365 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.58 162.63 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.598 1.959 . . . . 0.0 111.5 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -72.21 121.45 19.37 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.165 -0.96 . . . . 0.0 111.662 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -62.13 126.74 28.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.244 1.417 . . . . 0.0 112.987 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -95.68 -0.74 51.27 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.689 1.196 . . . . 0.0 114.212 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.89 -30.39 61.28 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.46 1.504 . . . . 0.0 113.497 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.991 1.716 . . . . 0.0 112.681 -178.468 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.377 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -60.21 155.69 44.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.123 3.215 . . . . 0.0 114.632 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.99 -177.41 47.65 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.824 1.202 . . . . 0.0 112.877 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 61.1 p -67.4 143.48 56.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.124 0.97 . . . . 0.0 112.42 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mmm -131.4 155.98 46.36 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.779 1.632 . . . . 0.0 112.469 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.1 m -130.46 156.06 45.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.81 1.644 . . . . 0.0 110.299 165.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.9 ptp -153.13 171.8 17.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.653 1.581 . . . . 0.0 110.979 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.53 177.68 7.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.83 1.252 . . . . 0.0 111.794 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -112.33 140.59 46.92 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.604 0.761 . . . . 0.0 110.607 157.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.9 t -88.18 142.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.622 1.169 . . . . 0.0 109.952 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.2 137.58 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.991 1.317 . . . . 0.0 110.819 166.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.64 165.48 35.1 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.927 1.691 . . . . 0.0 111.948 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -134.55 132.31 38.97 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.918 0.887 . . . . 0.0 111.366 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -68.08 163.24 22.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.432 1.493 . . . . 0.0 112.269 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.12 -25.9 68.3 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.79 0.836 . . . . 0.0 113.088 169.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -75.32 -6.77 51.61 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.263 1.425 . . . . 0.0 113.312 171.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 6.69 74.51 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.528 1.537 . . . . 0.0 114.813 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.12 120.63 5.33 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 118.808 1.304 . . . . 0.0 112.184 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -85.42 141.31 30.06 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.466 1.133 . . . . 0.0 112.162 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.7 t -136.82 140.1 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.14 1.776 . . . . 0.0 109.897 -171.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -124.72 151.06 45.52 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.517 0.727 . . . . 0.0 112.557 168.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.1 mt -132.08 115.22 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.329 1.451 . . . . 0.0 107.966 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.22 168.54 42.73 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.488 1.042 . . . . 0.0 113.81 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 57.56 30.7 19.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.133 1.373 . . . . 0.0 114.69 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -72.62 129.13 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.503 1.121 . . . . 0.0 111.185 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.2 mt -99.61 -27.92 13.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.168 0.987 . . . . 0.0 113.137 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -156.81 158.45 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.368 0.986 . . . . 0.0 113.133 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.87 140.5 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 127.078 2.151 . . . . 0.0 110.162 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -128.92 132.5 47.67 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.019 2.127 . . . . 0.0 111.456 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.16 123.76 29.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.124 0.57 . . . . 0.0 110.486 163.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -94.81 174.2 7.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.931 1.693 . . . . 0.0 111.057 170.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.64 84.56 0.2 Allowed Glycine 0 CA--C 1.533 1.189 0 O-C-N 121.101 -1.0 . . . . 0.0 111.789 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.54 14.9 39.35 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.059 1.314 . . . . 0.0 116.199 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.55 170.29 22.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.008 1.404 . . . . 0.0 112.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.7 t -122.62 143.2 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.448 1.099 . . . . 0.0 110.921 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -121.51 146.16 47.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.645 1.978 . . . . 0.0 110.948 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.8 t -141.02 138.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 126.029 1.732 . . . . 0.0 109.566 -168.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 m -131.16 135.32 47.33 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 119.81 1.186 . . . . 0.0 113.155 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.6 p -85.77 170.6 12.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.367 1.467 . . . . 0.0 113.879 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -52.22 -28.26 17.84 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.134 2.173 . . . . 0.0 113.33 168.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -98.04 17.99 17.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.298 1.439 . . . . 0.0 113.239 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t0 60.81 22.88 12.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.973 2.109 . . . . 0.0 114.303 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -85.66 118.04 24.93 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.945 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.51 141.27 29.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.284 0.633 . . . . 0.0 112.166 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -125.85 150.17 48.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.976 2.111 . . . . 0.0 109.698 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.66 139.57 29.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.886 0.874 . . . . 0.0 112.535 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -142.63 105.59 5.41 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.904 1.281 . . . . 0.0 111.895 -168.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -63.55 150.84 87.49 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 123.027 2.485 . . . . 0.0 113.581 175.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.62 5.84 86.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.699 1.143 . . . . 0.0 115.764 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.7 mt -97.29 163.53 12.86 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.538 1.169 . . . . 0.0 113.168 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.27 156.94 45.82 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.297 2.239 . . . . 0.0 110.259 167.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.66 113.31 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.08 -43.16 3.34 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.743 1.163 . . . . 0.0 114.648 -171.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -149.88 146.22 26.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.444 1.098 . . . . 0.0 111.539 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -128.61 134.78 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.987 2.115 . . . . 0.0 108.916 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -142.24 106.33 4.75 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.172 1.389 . . . . 0.0 110.203 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.19 -26.59 33.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.968 1.307 . . . . 0.0 112.699 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -70.96 -42.13 70.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.606 1.162 . . . . 0.0 111.431 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -31.71 42.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.48 1.112 . . . . 0.0 112.871 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.55 44.96 8.96 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.751 1.167 . . . . 0.0 112.487 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.3 t -135.28 141.57 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.263 1.425 . . . . 0.0 112.078 -173.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.2 mt -123.83 125.26 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.295 1.838 . . . . 0.0 108.744 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -105.81 123.42 47.93 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.259 1.024 . . . . 0.0 110.988 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.12 143.08 28.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.515 1.126 . . . . 0.0 110.984 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.35 159.98 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.691 1.596 . . . . 0.0 111.103 -174.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -70.43 116.9 11.29 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.595 1.158 . . . . 0.0 111.257 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.4 131.23 47.56 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.264 1.026 . . . . 0.0 111.124 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -84.6 0.1 51.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -174.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -78.6 -20.09 51.23 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.336 1.855 . . . . 0.0 113.353 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.291 1.837 . . . . 0.0 113.232 -173.402 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 CA-C-O 119.725 -0.486 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.88 156.97 30.52 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.417 3.411 . . . . 0.0 114.594 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -170.99 -125.63 0.82 Allowed Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.495 1.522 . . . . 0.0 110.987 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 40.6 m -64.58 -30.09 71.11 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.401 0.68 . . . . 0.0 112.273 170.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mtp -95.6 155.04 16.91 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.469 1.508 . . . . 0.0 112.324 165.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 6.0 m -130.73 157.36 43.02 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.321 1.848 . . . . 0.0 109.848 162.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mtp -137.99 161.71 36.0 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.023 1.729 . . . . 0.0 110.763 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.21 177.09 7.94 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.569 1.147 . . . . 0.0 111.882 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -124.72 140.42 52.95 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 111.482 165.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -94.4 142.39 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.308 1.443 . . . . 0.0 110.44 176.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.73 142.06 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.659 1.184 . . . . 0.0 112.242 172.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -150.93 160.98 43.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.388 1.875 . . . . 0.0 111.18 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 60.2 m -136.0 129.73 32.5 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.65 1.18 . . . . 0.0 110.598 170.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.11 163.74 24.1 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.489 1.516 . . . . 0.0 112.49 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.46 -26.31 67.81 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 170.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -76.93 -4.26 42.98 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.221 1.809 . . . . 0.0 113.736 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.21 6.17 81.88 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.335 1.445 . . . . 0.0 114.477 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.23 109.64 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 118.839 1.32 . . . . 0.0 112.101 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -79.9 140.29 36.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.385 1.093 . . . . 0.0 111.704 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.78 138.21 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.074 1.75 . . . . 0.0 109.896 177.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -140.18 132.53 28.38 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.788 1.635 . . . . 0.0 111.014 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -129.64 118.76 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.388 1.475 . . . . 0.0 109.549 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.75 174.1 35.76 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.732 1.158 . . . . 0.0 114.54 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 55.98 33.39 21.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.985 1.714 . . . . 0.0 114.733 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -75.6 131.16 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.838 1.655 . . . . 0.0 110.59 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 mt -98.18 -30.52 12.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.288 1.035 . . . . 0.0 112.987 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -153.62 154.28 33.91 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.55 132.21 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.747 1.619 . . . . 0.0 109.129 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -117.0 142.28 47.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.08 1.752 . . . . 0.0 110.776 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.6 115.43 30.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.15 0.98 . . . . 0.0 109.435 160.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -85.75 -175.08 5.46 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.572 1.949 . . . . 0.0 111.644 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.97 -9.62 47.76 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.801 1.191 . . . . 0.0 115.995 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.34 14.07 0.15 Allowed Glycine 0 N--CA 1.48 1.571 0 CA-C-N 119.229 1.514 . . . . 0.0 115.599 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.01 169.89 23.3 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.483 1.513 . . . . 0.0 111.777 -174.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -112.01 155.51 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 121.27 0.557 . . . . 0.0 111.659 157.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -129.8 137.2 50.37 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.519 1.927 . . . . 0.0 110.245 175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.52 127.69 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 109.484 -173.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.7 m -125.91 128.03 46.93 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.116 0.871 . . . . 0.0 112.161 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -95.02 165.53 12.39 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.669 1.588 . . . . 0.0 112.748 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.79 -12.64 50.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -81.32 3.21 24.99 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.269 1.428 . . . . 0.0 113.424 173.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 60.31 14.59 4.76 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.179 2.191 . . . . 0.0 114.016 -169.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -79.77 140.73 36.8 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.445 1.098 . . . . 0.0 111.14 169.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -120.68 141.75 50.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.24 1.416 . . . . 0.0 111.654 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -121.39 150.34 41.63 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.611 1.964 . . . . 0.0 110.062 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.35 142.86 31.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.457 0.703 . . . . 0.0 112.484 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -141.23 107.66 6.19 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 -172.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.92 147.27 49.25 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.954 2.436 . . . . 0.0 111.971 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.93 6.11 72.12 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.814 1.197 . . . . 0.0 115.774 174.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 41.2 mt -95.7 165.61 12.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.509 1.155 . . . . 0.0 112.028 169.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.85 159.99 41.11 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.381 2.272 . . . . 0.0 110.673 171.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -76.72 118.28 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.06 -37.7 4.04 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.394 0.997 . . . . 0.0 114.533 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.1 144.24 25.61 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.378 1.089 . . . . 0.0 111.365 -178.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.91 131.69 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.741 1.616 . . . . 0.0 108.824 173.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -143.43 103.65 4.13 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.087 0.955 . . . . 0.0 110.436 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.6 -15.33 59.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.326 1.05 . . . . 0.0 112.695 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -70.19 -45.81 65.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.712 1.205 . . . . 0.0 110.36 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -81.56 -25.94 35.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.313 1.445 . . . . 0.0 113.056 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.2 41.5 38.64 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.803 1.192 . . . . 0.0 112.069 -171.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.76 139.08 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.522 1.129 . . . . 0.0 112.044 -171.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -121.31 120.27 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.051 1.74 . . . . 0.0 108.263 170.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -102.86 127.37 50.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.62 148.7 23.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.973 1.309 . . . . 0.0 112.09 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.46 159.86 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.141 1.776 . . . . 0.0 110.674 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -74.31 121.29 21.11 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.23 1.012 . . . . 0.0 110.817 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -63.78 124.35 21.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.13 0.972 . . . . 0.0 112.414 -174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -85.51 4.54 35.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.679 1.192 . . . . 0.0 113.924 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -72.73 -24.2 60.94 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.19 1.396 . . . . 0.0 113.87 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.879 1.672 . . . . 0.0 113.226 -170.077 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 CA-C-O 119.932 -0.371 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -72.36 -20.14 24.55 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.235 3.29 . . . . 0.0 114.468 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 63.63 -142.44 46.81 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.329 0.966 . . . . 0.0 112.921 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 17.4 m -71.44 -13.05 61.71 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp -69.64 144.12 53.03 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.7 t -141.65 -179.98 6.49 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 128.055 2.542 . . . . 0.0 109.342 165.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.81 155.55 40.29 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.322 1.449 . . . . 0.0 110.901 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.21 178.82 7.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.121 . . . . 0.0 112.785 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -123.18 138.09 54.73 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 111.958 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.49 144.46 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.866 1.666 . . . . 0.0 110.608 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.39 140.9 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.651 1.58 . . . . 0.0 111.621 168.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.0 162.62 40.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.375 1.87 . . . . 0.0 111.267 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 m -137.84 130.66 29.93 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.109 0.963 . . . . 0.0 110.518 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.25 162.69 24.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.895 1.678 . . . . 0.0 112.688 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.89 -25.82 67.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.577 0.751 . . . . 0.0 112.716 170.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -77.51 -2.34 35.03 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.867 1.667 . . . . 0.0 114.126 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.54 7.62 81.8 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.331 1.443 . . . . 0.0 114.411 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.83 107.71 2.42 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-N 118.512 1.156 . . . . 0.0 111.913 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -78.45 138.23 38.36 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.487 1.115 . . . . 0.0 111.626 174.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -139.32 143.83 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.125 1.77 . . . . 0.0 110.358 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -134.37 151.07 51.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.274 1.43 . . . . 0.0 112.339 172.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.0 mt -130.92 121.44 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.89 1.676 . . . . 0.0 108.201 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.63 171.09 32.95 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.314 0.959 . . . . 0.0 114.019 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.42 35.48 25.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.804 1.642 . . . . 0.0 114.236 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.42 130.88 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.459 1.504 . . . . 0.0 111.56 -174.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -88.83 -39.74 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.978 1.311 . . . . 0.0 112.201 169.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -157.44 161.32 38.93 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -133.72 139.13 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 127.302 2.241 . . . . 0.0 109.091 175.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -127.5 147.4 50.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.759 1.624 . . . . 0.0 111.212 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.45 117.24 28.93 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.135 1.374 . . . . 0.0 110.641 169.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -89.25 -175.0 4.62 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.153 1.781 . . . . 0.0 110.944 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.49 -9.58 44.56 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.83 12.44 0.18 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.63 161.97 37.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 0.0 111.97 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.17 158.69 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.244 0.618 . . . . 0.0 112.315 163.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -133.8 139.88 46.57 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.463 1.905 . . . . 0.0 110.174 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -125.98 134.6 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.909 2.083 . . . . 0.0 110.149 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.2 m -128.28 130.78 48.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.832 1.253 . . . . 0.0 112.418 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 p -98.03 166.4 11.45 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.61 -28.86 61.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.0 2.12 . . . . 0.0 113.283 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -100.82 18.26 19.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.466 1.506 . . . . 0.0 113.085 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t0 60.44 30.37 19.73 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.581 1.952 . . . . 0.0 114.506 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -77.66 147.37 35.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.882 160.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -130.87 138.43 49.82 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.401 1.08 . . . . 0.0 111.035 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -130.47 145.61 51.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.829 1.652 . . . . 0.0 109.497 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 142.82 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.821 0.849 . . . . 0.0 112.225 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.91 110.41 6.6 Favored Pre-proline 0 N--CA 1.471 0.62 0 C-N-CA 124.149 0.98 . . . . 0.0 110.884 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.05 146.76 53.03 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.82 2.346 . . . . 0.0 111.75 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.39 14.41 82.2 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.77 164.04 12.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.775 1.23 . . . . 0.0 112.297 171.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 162.75 34.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.343 2.257 . . . . 0.0 110.248 166.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.18 124.56 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.541 -0.725 . . . . 0.0 109.612 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.47 -48.41 1.84 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.377 0.989 . . . . 0.0 114.186 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -150.95 150.55 30.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.177 0.991 . . . . 0.0 112.512 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.07 135.27 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.107 1.363 . . . . 0.0 111.143 162.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -113.42 109.91 19.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 108.876 167.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.36 -40.88 73.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 0.0 111.318 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -65.03 -37.86 89.0 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.381 1.072 . . . . 0.0 112.479 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -85.34 -22.15 28.61 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.643 1.177 . . . . 0.0 113.613 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.75 41.87 55.26 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.306 0.955 . . . . 0.0 113.352 -177.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.21 136.76 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.011 1.324 . . . . 0.0 111.754 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -121.83 138.76 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.67 1.988 . . . . 0.0 109.33 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -124.64 137.32 54.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.414 1.086 . . . . 0.0 111.914 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.99 148.92 30.0 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.593 1.557 . . . . 0.0 111.918 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.73 159.65 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.929 1.692 . . . . 0.0 111.227 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.33 119.77 20.66 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.531 -0.731 . . . . 0.0 111.936 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -69.41 135.99 51.02 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.337 1.055 . . . . 0.0 111.028 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -149.71 25.09 0.86 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -170.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -75.82 -36.28 59.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.708 0.803 . . . . 0.0 111.313 168.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 . . . . . 0 C--O 1.255 1.38 0 C-N-CA 125.353 1.461 . . . . 0.0 112.514 175.057 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.486 0 CA-C-O 119.168 -0.795 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -57.31 160.58 13.18 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 124.16 3.24 . . . . 0.0 114.631 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.86 -170.51 26.04 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.761 1.172 . . . . 0.0 114.646 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m -65.97 -12.08 52.33 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.328 1.451 . . . . 0.0 114.86 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ptm -148.97 167.05 26.82 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.256 1.822 . . . . 0.0 111.109 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.94 154.94 47.6 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.475 1.51 . . . . 0.0 110.589 168.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -149.06 160.54 43.23 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.266 1.426 . . . . 0.0 110.55 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.89 -176.6 4.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 112.167 -170.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -117.61 144.61 45.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.908 0.883 . . . . 0.0 113.155 165.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -90.21 147.65 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.213 1.405 . . . . 0.0 110.506 167.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.85 133.97 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.799 1.239 . . . . 0.0 110.373 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -146.42 156.47 43.32 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.408 1.483 . . . . 0.0 111.404 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.9 m -133.44 132.11 40.72 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.706 0.803 . . . . 0.0 110.779 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.2 164.58 22.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.802 1.641 . . . . 0.0 112.039 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -27.74 69.48 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.251 1.021 . . . . 0.0 112.453 171.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -76.72 -4.62 44.24 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.844 1.658 . . . . 0.0 113.894 173.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.19 5.35 80.16 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.135 1.35 . . . . 0.0 114.971 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.53 119.9 5.41 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 118.026 0.913 . . . . 0.0 111.967 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -95.09 141.29 28.9 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.791 1.237 . . . . 0.0 112.491 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t -136.6 144.73 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.517 1.927 . . . . 0.0 109.909 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.25 147.38 50.66 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.028 1.331 . . . . 0.0 111.56 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 58.2 mt -132.82 122.06 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.164 1.385 . . . . 0.0 108.907 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.41 171.31 36.5 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.466 1.031 . . . . 0.0 114.999 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.0 33.9 22.69 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.245 1.818 . . . . 0.0 114.734 173.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.97 130.89 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.269 1.828 . . . . 0.0 111.851 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 43.3 mt -102.5 -22.98 13.95 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.976 1.31 . . . . 0.0 114.218 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.63 150.52 32.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 172.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.88 133.03 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.862 1.665 . . . . 0.0 108.95 170.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -141.28 131.77 25.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.155 0.982 . . . . 0.0 112.436 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.28 118.51 25.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.399 1.08 . . . . 0.0 110.412 168.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -82.12 -173.85 4.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.579 1.552 . . . . 0.0 111.239 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.04 -11.0 43.07 Favored Glycine 0 CA--C 1.54 1.64 0 O-C-N 120.873 -1.142 . . . . 0.0 115.772 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.56 22.95 0.14 Allowed Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.923 1.361 . . . . 0.0 115.368 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.38 162.57 37.64 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.263 1.425 . . . . 0.0 111.818 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.81 136.77 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.744 0.818 . . . . 0.0 110.673 164.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -116.08 147.96 40.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.595 1.958 . . . . 0.0 110.971 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -141.52 135.07 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.376 1.871 . . . . 0.0 109.557 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -133.47 133.57 42.43 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.863 0.756 . . . . 0.0 112.374 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -88.24 171.87 9.87 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.12 -26.89 18.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.466 2.306 . . . . 0.0 113.598 168.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.82 18.29 20.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.334 1.454 . . . . 0.0 112.305 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 59.55 20.16 8.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.577 1.951 . . . . 0.0 114.86 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.64 122.43 24.65 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 171.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -96.79 141.43 30.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.101 0.96 . . . . 0.0 112.189 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -132.01 148.08 52.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.75 1.62 . . . . 0.0 109.689 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.15 139.95 26.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.059 0.944 . . . . 0.0 112.323 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.98 107.95 6.92 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.623 1.169 . . . . 0.0 110.766 -170.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.61 149.03 54.59 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.677 2.251 . . . . 0.0 111.993 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 18.97 78.63 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 172.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.01 164.08 13.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.548 1.539 . . . . 0.0 111.995 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.4 167.57 21.83 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.025 2.13 . . . . 0.0 110.262 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.07 123.42 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.262 -0.899 . . . . 0.0 110.058 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.46 -38.53 4.21 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.809 1.671 . . . . 0.0 114.65 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 mtm105 -143.69 151.97 40.73 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.959 1.303 . . . . 0.0 111.926 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -125.45 124.91 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.924 1.689 . . . . 0.0 107.983 164.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -131.6 97.15 4.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 110.455 -170.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.16 -27.24 61.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.423 1.089 . . . . 0.0 111.651 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -69.12 -50.58 46.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.363 1.465 . . . . 0.0 110.898 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -84.49 -19.83 32.66 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 113.284 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.07 45.6 19.53 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.749 1.166 . . . . 0.0 112.954 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.9 143.54 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.113 1.365 . . . . 0.0 111.6 -171.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -124.88 120.23 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.409 1.484 . . . . 0.0 108.868 167.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -98.82 123.07 42.83 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.048 0.939 . . . . 0.0 110.73 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mp -100.02 144.55 28.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.011 1.324 . . . . 0.0 109.971 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.66 157.76 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.996 1.719 . . . . 0.0 110.933 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.9 126.14 30.44 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.009 -1.057 . . . . 0.0 112.254 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.416 ' HG2' ' H ' ' B' ' 65' ' ' ASN . 53.5 tt0 -89.34 139.1 30.85 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.607 1.563 . . . . 0.0 112.346 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -91.97 -2.22 56.86 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . 0.416 ' H ' ' HG2' ' B' ' 63' ' ' GLU . 90.2 m-20 -79.79 -14.51 58.65 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.922 1.689 . . . . 0.0 113.648 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 125.584 1.553 . . . . 0.0 114.387 -176.51 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 119.631 -0.538 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.22 164.82 33.61 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.719 2.946 . . . . 0.0 112.895 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.41 -148.61 3.21 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.704 1.145 . . . . 0.0 112.893 167.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.3 m -61.41 137.91 58.25 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.653 -0.91 . . . . 0.0 111.973 173.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mmm -123.41 154.08 39.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.347 1.459 . . . . 0.0 112.58 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 t -144.34 150.02 37.13 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.865 1.666 . . . . 0.0 110.342 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.82 162.43 38.63 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 126.081 1.752 . . . . 0.0 110.437 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.28 179.12 6.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.196 1.398 . . . . 0.0 111.955 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -108.56 140.38 41.99 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.278 0.631 . . . . 0.0 111.252 159.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -85.72 139.09 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 123.786 0.834 . . . . 0.0 109.041 165.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -139.87 137.74 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.077 1.351 . . . . 0.0 110.061 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -154.42 161.97 41.42 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.612 1.165 . . . . 0.0 111.977 -173.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.1 m -127.1 127.22 44.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.976 0.911 . . . . 0.0 109.897 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -69.1 163.17 25.39 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.7 1.6 . . . . 0.0 112.115 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.25 67.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.278 1.031 . . . . 0.0 112.684 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.61 -7.19 50.94 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.192 1.797 . . . . 0.0 114.011 173.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.23 4.46 88.13 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.641 1.591 . . . . 0.0 114.605 -172.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.96 125.04 7.24 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.379 0.99 . . . . 0.0 112.606 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -79.29 137.25 37.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.392 1.077 . . . . 0.0 110.914 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.98 137.62 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.681 1.592 . . . . 0.0 110.338 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -141.6 138.59 32.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.182 1.393 . . . . 0.0 111.326 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.01 123.07 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.756 1.622 . . . . 0.0 109.111 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.71 169.09 35.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.235 0.921 . . . . 0.0 114.937 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 55.78 33.3 21.19 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.17 1.788 . . . . 0.0 114.39 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.12 125.65 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.052 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.75 -33.72 12.18 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.887 0.875 . . . . 0.0 112.405 167.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -133.63 139.07 46.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.728 0.811 . . . . 0.0 113.06 -170.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.0 t -138.34 136.42 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.159 1.384 . . . . 0.0 108.727 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -141.67 141.4 33.35 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.061 1.345 . . . . 0.0 110.44 -170.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.55 134.47 54.83 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.387 1.075 . . . . 0.0 110.471 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -128.02 -165.84 1.54 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.983 2.113 . . . . 0.0 110.94 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.79 73.31 0.36 Allowed Glycine 0 CA--C 1.538 1.529 0 C-N-CA 125.176 1.369 . . . . 0.0 114.262 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.74 12.24 55.83 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 126.165 1.84 . . . . 0.0 115.622 175.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.95 161.13 43.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.872 1.269 . . . . 0.0 112.418 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.1 m -111.52 156.54 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.343 1.057 . . . . 0.0 112.172 169.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -134.47 139.16 45.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.613 1.965 . . . . 0.0 110.685 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -131.76 133.14 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.056 1.742 . . . . 0.0 110.244 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -129.06 137.39 51.25 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.598 1.09 . . . . 0.0 112.702 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -96.7 167.8 10.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.948 1.299 . . . . 0.0 114.322 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -55.59 -25.94 41.1 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.197 2.199 . . . . 0.0 113.706 170.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.05 19.65 20.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.45 1.5 . . . . 0.0 113.547 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t0 60.0 27.9 17.36 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.721 2.008 . . . . 0.0 114.998 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -76.55 146.92 38.05 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.964 -1.085 . . . . 0.0 110.219 160.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -130.11 138.41 50.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.206 1.003 . . . . 0.0 111.538 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -129.53 144.21 51.17 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.721 1.608 . . . . 0.0 109.288 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 144.04 32.32 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.342 0.657 . . . . 0.0 111.858 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -143.29 115.01 5.8 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 124.141 0.976 . . . . 0.0 111.101 -172.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.05 147.49 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.681 2.254 . . . . 0.0 112.032 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.14 13.36 82.8 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 173.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 mt -102.72 166.8 10.29 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.427 1.114 . . . . 0.0 112.198 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.21 158.41 43.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.716 2.006 . . . . 0.0 110.975 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.34 124.32 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.44 -50.96 1.63 Allowed Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.096 1.332 . . . . 0.0 113.93 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -146.53 150.08 34.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.564 1.546 . . . . 0.0 111.75 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.0 t -132.13 106.73 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.217 1.807 . . . . 0.0 107.85 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.52 102.8 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.957 1.303 . . . . 0.0 110.567 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.19 -47.82 63.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.736 -0.603 . . . . 0.0 111.741 -172.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.13 -40.47 90.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.926 0.89 . . . . 0.0 112.038 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t -71.82 -30.75 65.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.251 1.021 . . . . 0.0 112.81 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 40.21 37.27 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.504 1.05 . . . . 0.0 112.604 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -135.66 136.22 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.858 1.263 . . . . 0.0 111.828 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -123.78 120.53 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.682 1.593 . . . . 0.0 109.193 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.1 t -97.43 124.86 41.76 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.96 1.304 . . . . 0.0 110.715 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.54 144.46 41.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.647 1.179 . . . . 0.0 110.847 173.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.48 160.7 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.102 1.361 . . . . 0.0 111.696 -168.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -67.88 124.26 22.85 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.573 1.149 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.35 105.31 0.19 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -161.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -133.66 39.25 3.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.553 2.341 . . . . 0.0 109.827 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -73.23 -3.41 26.65 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 127.022 2.129 . . . . 0.0 114.256 -175.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptm85 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.953 1.701 . . . . 0.0 114.104 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 CA-C-O 119.219 -0.767 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.86 145.28 40.97 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 124.089 3.193 . . . . 0.0 114.251 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 80.21 -43.36 2.68 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.763 1.649 . . . . 0.0 113.895 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 39.9 t -71.28 -35.6 71.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.147 0.979 . . . . 0.0 111.616 168.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -146.26 173.33 12.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.287 1.835 . . . . 0.0 110.892 169.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 18.0 t -153.43 154.89 35.31 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.107 1.363 . . . . 0.0 111.121 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptm -150.87 159.51 44.5 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.115 2.166 . . . . 0.0 110.003 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 -177.46 5.07 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.367 1.067 . . . . 0.0 112.591 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -123.9 141.44 52.03 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.373 1.069 . . . . 0.0 111.394 165.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.9 143.75 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.857 0.863 . . . . 0.0 110.179 170.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.81 140.66 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.657 1.583 . . . . 0.0 111.118 171.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -151.96 167.21 29.12 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.371 1.868 . . . . 0.0 111.086 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.2 m -130.79 130.75 44.09 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.942 0.897 . . . . 0.0 110.943 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -71.7 164.73 25.41 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.59 1.556 . . . . 0.0 113.134 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.35 -27.55 68.66 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.738 1.215 . . . . 0.0 113.208 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -77.37 -2.15 33.61 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.866 1.266 . . . . 0.0 113.564 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.25 1.46 75.39 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 126.251 1.881 . . . . 0.0 114.911 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.71 129.33 9.19 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-N 119.253 1.527 . . . . 0.0 112.97 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -74.81 139.31 43.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.727 1.211 . . . . 0.0 111.176 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.37 142.13 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.316 1.447 . . . . 0.0 110.152 -174.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -140.13 152.76 46.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.634 1.174 . . . . 0.0 112.579 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.4 mt -127.27 122.91 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.774 1.63 . . . . 0.0 108.512 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.48 165.56 32.53 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.607 1.099 . . . . 0.0 114.354 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.06 39.13 30.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.312 1.845 . . . . 0.0 113.675 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 94.5 t -70.86 129.05 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.694 1.198 . . . . 0.0 110.717 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -99.05 -34.36 10.43 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.59 1.556 . . . . 0.0 111.943 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -159.22 154.23 25.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.773 1.229 . . . . 0.0 113.694 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -132.86 143.07 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.676 1.99 . . . . 0.0 109.999 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -136.97 132.05 33.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.832 1.253 . . . . 0.0 111.528 -171.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.79 124.64 39.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.065 0.946 . . . . 0.0 110.472 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -107.09 -176.18 3.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.72 1.608 . . . . 0.0 110.757 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.84 81.74 0.12 Allowed Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.077 -1.015 . . . . 0.0 113.299 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 23.41 40.48 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.054 1.311 . . . . 0.0 114.995 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.71 165.9 35.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.798 1.239 . . . . 0.0 112.696 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.77 145.98 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.088 1.355 . . . . 0.0 111.43 168.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -119.73 148.31 43.56 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.988 1.715 . . . . 0.0 110.698 168.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.51 129.05 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.968 1.707 . . . . 0.0 109.426 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.9 m -124.91 132.25 53.32 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.7 p -90.81 164.14 14.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.072 1.349 . . . . 0.0 113.281 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.87 -18.66 57.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 113.449 172.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -107.2 22.25 16.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.768 1.627 . . . . 0.0 113.092 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.75 13.98 6.9 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.507 2.323 . . . . 0.0 116.334 174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.63 144.4 41.75 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.947 -1.095 . . . . 0.0 110.865 163.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -129.99 144.19 51.2 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.141 1.377 . . . . 0.0 111.532 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -129.69 149.2 51.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 126.511 1.924 . . . . 0.0 110.278 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 142.79 34.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.973 0.909 . . . . 0.0 112.551 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -140.0 95.09 8.66 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.53 1.532 . . . . 0.0 111.743 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -67.08 138.67 48.29 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.623 2.215 . . . . 0.0 111.431 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.45 2.91 88.86 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.664 1.126 . . . . 0.0 115.292 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 mt -99.01 162.37 13.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.841 1.32 . . . . 0.0 112.172 166.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 156.57 47.26 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.752 2.421 . . . . 0.0 109.605 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.1 mt -71.63 121.26 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.794 -1.191 . . . . 0.0 108.789 173.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.72 -60.57 1.27 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.378 0.99 . . . . 0.0 112.835 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -145.03 155.59 43.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.583 1.153 . . . . 0.0 112.807 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.95 134.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 127.463 2.305 . . . . 0.0 108.677 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -140.03 100.93 4.04 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.114 1.365 . . . . 0.0 109.471 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 65.7 mt -80.47 -18.14 49.54 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.694 1.198 . . . . 0.0 112.93 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -68.95 -44.7 72.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.287 1.435 . . . . 0.0 109.849 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -76.38 -32.52 58.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.594 1.158 . . . . 0.0 113.224 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.57 34.43 22.53 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.413 1.483 . . . . 0.0 113.237 -174.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.84 141.15 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.976 1.31 . . . . 0.0 112.171 -169.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -122.19 126.55 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.89 1.676 . . . . 0.0 108.772 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 42.2 t -110.26 126.21 53.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.582 1.153 . . . . 0.0 111.247 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.9 mt -96.57 151.68 19.36 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.326 1.05 . . . . 0.0 112.128 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.29 162.06 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.853 1.661 . . . . 0.0 111.315 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -71.45 122.16 19.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.683 0.793 . . . . 0.0 111.872 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -58.34 134.23 56.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.987 1.315 . . . . 0.0 111.098 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -152.27 20.92 0.65 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.528 1.131 . . . . 0.0 112.938 -171.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -85.97 -23.33 26.93 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.587 1.155 . . . . 0.0 112.491 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 . . . . . 0 C--O 1.256 1.403 0 CA-C-O 117.233 -1.365 . . . . 0.0 113.685 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.423 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.03 154.01 54.02 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 124.079 3.186 . . . . 0.0 114.553 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 173.14 -172.51 45.19 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.758 1.171 . . . . 0.0 113.156 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.0 t -66.69 143.9 56.69 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.779 0.832 . . . . 0.0 111.972 174.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm -124.01 136.37 54.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.107 1.363 . . . . 0.0 111.201 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.1 m -140.16 34.9 1.91 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.46 1.104 . . . . 0.0 113.059 -173.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 133.68 55.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.017 0.927 . . . . 0.0 111.871 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.44 -174.75 2.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.714 1.605 . . . . 0.0 112.201 -173.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.64 139.2 52.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.054 0.942 . . . . 0.0 111.307 159.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 t -91.14 145.07 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.645 1.178 . . . . 0.0 110.198 173.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.26 136.96 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.513 1.525 . . . . 0.0 111.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -151.93 168.44 25.16 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.34 1.856 . . . . 0.0 111.702 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m -130.92 130.6 43.7 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.808 0.843 . . . . 0.0 110.705 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -69.14 162.63 26.6 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.924 1.69 . . . . 0.0 112.616 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.56 -27.1 67.41 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.551 1.14 . . . . 0.0 113.157 169.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -70.89 -6.75 40.7 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.305 1.842 . . . . 0.0 113.657 172.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.95 4.51 90.26 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.572 1.558 . . . . 0.0 114.636 -171.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.84 122.12 6.16 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.39 0.995 . . . . 0.0 112.82 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.4 tpp85 -71.25 132.9 45.63 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.78 1.232 . . . . 0.0 110.912 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.53 139.0 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.82 1.648 . . . . 0.0 110.431 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -135.0 147.21 49.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.675 1.19 . . . . 0.0 111.58 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -128.67 118.16 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.404 1.482 . . . . 0.0 108.472 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.01 166.7 37.27 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.381 0.991 . . . . 0.0 114.424 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 54.19 36.75 25.72 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.578 1.551 . . . . 0.0 114.356 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -76.29 119.09 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.011 1.324 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tt -88.91 -33.95 17.1 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.586 1.154 . . . . 0.0 112.227 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -153.36 155.44 36.44 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.857 0.863 . . . . 0.0 112.698 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.1 t -136.62 142.26 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.826 1.651 . . . . 0.0 110.334 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 mtm105 -137.06 154.63 50.29 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.283 1.833 . . . . 0.0 111.442 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -127.23 135.87 51.23 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.584 1.554 . . . . 0.0 111.213 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -107.98 7.06 27.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.801 1.641 . . . . 0.0 113.988 -168.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.86 34.95 88.76 Favored Glycine 0 CA--C 1.545 1.923 0 C-N-CA 123.927 0.775 . . . . 0.0 113.224 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.87 -19.09 0.05 OUTLIER Glycine 0 CA--C 1.539 1.561 0 C-N-CA 126.192 1.853 . . . . 0.0 113.869 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.94 162.84 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.635 1.974 . . . . 0.0 110.273 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 m -107.0 160.2 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-O 121.245 0.545 . . . . 0.0 111.803 160.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -134.05 135.36 43.26 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.113 2.165 . . . . 0.0 109.397 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.9 t -129.73 118.33 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 126.319 1.848 . . . . 0.0 109.392 -171.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.7 m -117.93 131.68 56.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.56 0.744 . . . . 0.0 112.002 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -83.1 166.79 18.41 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.468 1.107 . . . . 0.0 113.783 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.0 tp -54.21 -21.0 7.84 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.503 2.321 . . . . 0.0 113.375 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.49 18.09 21.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.283 1.833 . . . . 0.0 113.324 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.31 15.39 8.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.344 2.258 . . . . 0.0 115.897 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -76.75 142.38 40.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.929 -1.107 . . . . 0.0 110.352 166.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -125.37 129.47 49.99 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.374 0.67 . . . . 0.0 112.067 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -103.86 153.88 20.26 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.375 1.87 . . . . 0.0 110.005 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.97 35.83 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.881 0.872 . . . . 0.0 112.096 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.28 101.16 7.58 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.31 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.11 146.25 97.86 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.857 3.038 . . . . 0.0 113.753 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.05 3.9 70.54 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.032 1.301 . . . . 0.0 116.195 173.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.71 166.07 11.66 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.906 1.283 . . . . 0.0 112.083 170.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.01 161.44 37.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.847 2.459 . . . . 0.0 110.309 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.37 119.77 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.367 -0.833 . . . . 0.0 109.306 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.56 -40.76 4.64 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.99 1.281 . . . . 0.0 114.051 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -148.63 156.04 41.88 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.437 1.095 . . . . 0.0 112.383 172.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -130.68 109.56 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.08 1.752 . . . . 0.0 108.096 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -107.17 87.09 2.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.646 1.179 . . . . 0.0 109.931 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.33 -38.48 87.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.935 0.894 . . . . 0.0 112.191 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.53 -34.58 78.56 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.934 1.694 . . . . 0.0 113.182 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 t -91.12 -29.4 17.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.722 1.209 . . . . 0.0 113.806 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.15 35.0 28.26 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.704 1.145 . . . . 0.0 112.947 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.11 140.61 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.845 1.258 . . . . 0.0 111.796 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -122.76 126.47 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.549 1.54 . . . . 0.0 109.227 173.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -101.39 137.99 39.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.589 1.155 . . . . 0.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.74 143.81 43.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.934 1.294 . . . . 0.0 111.327 174.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 162.22 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.407 1.883 . . . . 0.0 110.987 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -74.46 122.45 23.04 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.525 -0.734 . . . . 0.0 112.028 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -62.39 132.61 53.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.706 1.203 . . . . 0.0 112.582 -174.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -84.11 1.12 45.66 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.274 1.03 . . . . 0.0 113.572 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -75.94 -20.27 58.09 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.87 1.268 . . . . 0.0 113.271 174.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.818 2.047 . . . . 0.0 112.553 178.632 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 119.935 -0.37 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.31 159.26 53.11 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.198 3.265 . . . . 0.0 112.977 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.01 157.74 53.11 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.342 0.973 . . . . 0.0 114.378 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 18.6 m -75.98 -5.95 48.69 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.27 1.428 . . . . 0.0 114.836 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm -147.76 171.64 15.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.22 1.808 . . . . 0.0 111.149 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 8.7 t -138.67 156.95 46.98 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.012 0.925 . . . . 0.0 112.856 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.7 ptm -157.12 164.69 37.59 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.274 2.229 . . . . 0.0 110.306 -168.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.37 -178.82 5.46 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.281 -174.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -123.06 149.06 44.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.799 1.64 . . . . 0.0 111.5 165.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.32 143.62 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.062 1.345 . . . . 0.0 110.325 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -134.45 140.98 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.571 1.549 . . . . 0.0 111.411 172.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -149.06 161.39 42.04 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.199 1.8 . . . . 0.0 110.798 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 25.5 m -133.54 131.0 39.24 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.668 0.787 . . . . 0.0 111.188 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -69.59 163.8 24.69 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.773 1.629 . . . . 0.0 112.42 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.85 69.02 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.927 0.891 . . . . 0.0 112.905 169.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -73.68 -5.44 40.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.898 1.679 . . . . 0.0 114.135 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.31 8.66 83.18 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.367 1.461 . . . . 0.0 114.716 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.82 118.48 4.63 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 118.372 1.086 . . . . 0.0 111.739 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -79.38 141.37 36.95 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 117.895 0.847 . . . . 0.0 110.723 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.54 138.24 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.548 1.939 . . . . 0.0 109.829 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -135.66 145.18 46.51 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.847 1.259 . . . . 0.0 111.817 -175.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.98 121.38 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.427 1.491 . . . . 0.0 108.82 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.8 168.89 33.32 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.431 1.015 . . . . 0.0 113.631 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 56.16 36.33 27.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.02 1.728 . . . . 0.0 114.518 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.36 129.25 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.63 1.572 . . . . 0.0 110.978 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.17 -23.0 13.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.453 1.101 . . . . 0.0 113.654 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -158.3 153.84 26.15 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 172.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 56.7 t -134.94 140.69 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.256 2.222 . . . . 0.0 109.16 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -136.73 147.58 46.8 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.716 1.206 . . . . 0.0 111.709 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 124.68 50.62 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.615 1.166 . . . . 0.0 111.17 171.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -88.47 172.83 9.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.732 1.613 . . . . 0.0 111.145 167.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 48.63 1.22 Allowed Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.183 1.373 . . . . 0.0 114.131 173.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.99 3.43 0.21 Allowed Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.339 1.447 . . . . 0.0 116.182 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.31 162.9 37.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.677 1.739 . . . . 0.0 112.692 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -112.3 143.59 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.616 1.166 . . . . 0.0 111.572 167.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -122.37 145.9 47.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.634 2.373 . . . . 0.0 110.777 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.24 137.01 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.986 1.714 . . . . 0.0 110.478 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.0 m -131.52 128.18 38.8 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.205 1.002 . . . . 0.0 112.007 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.6 p -90.18 169.99 10.68 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -52.98 -29.16 27.4 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.945 2.098 . . . . 0.0 113.781 168.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -99.11 18.58 17.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.256 1.423 . . . . 0.0 112.969 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.29 3.0 p30 56.24 20.07 4.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 129.208 3.003 . . . . 0.0 115.227 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.77 134.84 46.45 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.968 168.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -109.94 135.88 50.1 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.397 1.079 . . . . 0.0 111.795 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -123.16 146.82 47.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.65 1.58 . . . . 0.0 109.196 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.94 142.95 30.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 112.49 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -139.63 107.19 7.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.988 1.315 . . . . 0.0 111.049 -169.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.79 144.87 49.69 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.961 2.441 . . . . 0.0 111.686 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.62 80.52 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 124.266 0.936 . . . . 0.0 114.976 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 40.2 mt -106.68 162.17 14.0 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.98 1.39 . . . . 0.0 112.295 170.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 155.84 48.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.553 1.941 . . . . 0.0 110.666 168.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 51.5 mt -74.69 119.83 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.07 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.96 -42.13 2.7 Favored Glycine 0 N--CA 1.474 1.222 0 C-N-CA 124.456 1.026 . . . . 0.0 114.384 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -149.91 145.32 26.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.83 1.252 . . . . 0.0 111.743 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -139.79 105.33 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.557 1.943 . . . . 0.0 108.606 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -110.37 112.91 25.16 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.082 0.953 . . . . 0.0 109.966 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 54.9 mt -86.47 -26.62 24.55 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -66.88 -42.46 85.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.539 1.135 . . . . 0.0 111.972 176.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 84.8 p -86.89 -21.44 26.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.409 1.084 . . . . 0.0 113.601 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.76 46.11 25.23 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.732 1.158 . . . . 0.0 112.864 -178.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -129.28 133.29 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.213 1.005 . . . . 0.0 111.471 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -120.78 129.2 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.935 1.694 . . . . 0.0 108.576 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.37 128.43 55.51 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.222 1.409 . . . . 0.0 110.776 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -98.72 151.11 21.1 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.53 1.132 . . . . 0.0 111.754 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -128.97 160.82 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 126.03 1.732 . . . . 0.0 111.019 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -78.66 115.23 18.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.041 0.936 . . . . 0.0 112.037 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -77.12 128.73 34.94 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.26 1.424 . . . . 0.0 111.368 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -89.64 2.09 55.18 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -77.52 -4.81 47.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.44 1.896 . . . . 0.0 113.735 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 C--O 1.255 1.387 0 C-N-CA 127.581 2.353 . . . . 0.0 114.968 178.867 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 CA-C-O 119.61 -0.55 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.57 148.0 77.61 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.849 3.033 . . . . 0.0 112.978 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.26 151.88 33.63 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.654 1.121 . . . . 0.0 114.136 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 86.1 p -83.32 173.25 11.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.35 1.46 . . . . 0.0 112.135 170.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ptm -141.78 152.6 43.9 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.159 1.383 . . . . 0.0 111.642 170.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t -88.27 142.76 27.48 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.066 0.946 . . . . 0.0 112.956 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -150.4 156.36 41.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.436 2.294 . . . . 0.0 109.481 170.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.74 -178.51 4.06 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.351 1.06 . . . . 0.0 112.729 -170.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -121.96 134.42 54.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.064 1.345 . . . . 0.0 111.536 165.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.6 t -92.44 143.19 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.55 1.14 . . . . 0.0 109.878 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -140.93 143.23 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -150.38 157.09 42.66 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.795 2.038 . . . . 0.0 110.872 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 m -136.7 132.7 35.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.729 0.812 . . . . 0.0 111.435 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -71.94 162.35 29.58 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.1 1.76 . . . . 0.0 112.673 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.56 -26.26 68.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.948 0.899 . . . . 0.0 112.734 170.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -75.34 -4.56 39.97 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.06 1.744 . . . . 0.0 113.788 172.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.56 5.72 84.23 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.603 1.573 . . . . 0.0 114.68 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.22 123.77 6.45 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 118.169 0.985 . . . . 0.0 111.26 177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -95.79 141.15 29.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.908 0.883 . . . . 0.0 112.05 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t -131.12 136.06 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 126.02 1.728 . . . . 0.0 109.116 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -142.22 153.25 43.84 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 112.537 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.3 mt -131.11 123.27 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.714 1.605 . . . . 0.0 108.241 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.02 168.4 32.59 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.57 1.081 . . . . 0.0 113.547 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 55.32 36.77 27.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.672 1.589 . . . . 0.0 113.92 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.2 125.93 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.143 1.777 . . . . 0.0 111.783 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tt -96.12 -36.02 11.13 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 125.168 1.387 . . . . 0.0 111.907 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -151.59 156.08 39.74 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.146 0.979 . . . . 0.0 113.454 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -139.62 140.86 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.611 1.964 . . . . 0.0 109.912 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 mtp85 -130.52 137.66 49.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.916 1.687 . . . . 0.0 112.111 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.39 120.59 33.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 109.82 161.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -94.59 -179.65 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.125 1.77 . . . . 0.0 110.955 172.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.8 86.63 0.12 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 120.996 -1.065 . . . . 0.0 111.813 168.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 21.7 43.92 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.872 1.701 . . . . 0.0 115.594 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.86 165.14 37.38 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.228 1.514 . . . . 0.0 112.776 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -114.84 144.28 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.724 1.21 . . . . 0.0 111.11 166.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -123.89 145.92 48.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.066 1.746 . . . . 0.0 110.937 171.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.9 t -135.59 136.14 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.376 1.87 . . . . 0.0 109.536 -173.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -130.82 126.72 37.02 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.888 0.875 . . . . 0.0 111.438 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -78.21 166.33 22.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.079 0.952 . . . . 0.0 113.014 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.81 -31.01 66.19 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.685 1.194 . . . . 0.0 111.844 172.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -86.66 13.65 8.29 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.154 1.782 . . . . 0.0 113.871 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 63.01 20.37 12.25 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.873 2.069 . . . . 0.0 115.482 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.23 127.93 34.3 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.353 -1.467 . . . . 0.0 110.122 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -102.61 141.69 35.01 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.613 1.165 . . . . 0.0 112.356 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -135.18 149.7 49.99 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.913 1.685 . . . . 0.0 110.228 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.87 143.23 33.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.532 1.133 . . . . 0.0 112.493 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -141.23 103.82 6.08 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.118 1.367 . . . . 0.0 111.423 -172.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 147.57 59.25 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 122.5 2.133 . . . . 0.0 112.102 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 6.14 89.34 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.384 1.469 . . . . 0.0 114.84 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.1 mt -106.6 163.78 12.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.714 1.206 . . . . 0.0 112.44 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.55 160.55 39.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.27 2.228 . . . . 0.0 110.19 167.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.74 122.05 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.394 -0.817 . . . . 0.0 108.844 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.6 -72.82 1.18 Allowed Glycine 0 CA--C 1.522 0.512 0 C-N-CA 124.444 1.021 . . . . 0.0 113.097 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -136.99 143.31 42.72 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.226 1.01 . . . . 0.0 111.833 -174.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.28 111.76 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.819 1.648 . . . . 0.0 109.473 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.8 109.78 21.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.009 1.324 . . . . 0.0 109.557 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -51.48 17.53 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.904 -0.497 . . . . 0.0 111.35 -175.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -23.55 65.62 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -91.97 -17.87 24.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.181 1.392 . . . . 0.0 113.821 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.02 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.381 1.467 . . . . 0.0 113.833 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.41 136.56 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.761 1.28 . . . . 0.0 111.889 -175.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.4 mt -127.03 112.98 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.665 1.586 . . . . 0.0 109.327 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.2 m -97.57 124.72 41.93 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.039 1.335 . . . . 0.0 111.101 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -88.83 156.33 19.01 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.998 0.919 . . . . 0.0 112.074 174.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.94 162.27 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.016 1.727 . . . . 0.0 111.213 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -71.01 122.32 19.8 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.941 0.896 . . . . 0.0 111.293 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.93 129.08 40.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.882 0.873 . . . . 0.0 111.251 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -144.57 29.36 1.26 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.751 1.221 . . . . 0.0 113.591 -165.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -79.72 -7.85 58.87 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.524 1.129 . . . . 0.0 113.444 174.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 127.518 2.327 . . . . 0.0 113.232 -178.821 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 CA-C-O 119.226 -0.763 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.39 166.04 11.98 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.136 3.224 . . . . 0.0 114.476 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -147.72 -179.88 24.08 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.97 1.272 . . . . 0.0 113.805 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 95.4 p -151.84 171.22 18.07 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.832 1.653 . . . . 0.0 112.06 -176.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtm 57.61 -162.77 0.2 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.196 1.798 . . . . 0.0 113.431 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t -133.63 145.73 50.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.083 1.353 . . . . 0.0 109.759 164.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -147.8 171.4 15.76 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.719 1.607 . . . . 0.0 110.459 -176.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.96 173.32 11.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.203 1.001 . . . . 0.0 112.42 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -103.2 143.8 32.15 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.011 0.924 . . . . 0.0 110.534 158.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t -98.89 138.78 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.154 . . . . 0.0 109.682 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -134.95 142.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.747 1.219 . . . . 0.0 111.762 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -147.31 155.64 42.2 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.175 1.79 . . . . 0.0 110.65 176.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 62.5 m -137.86 129.05 27.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.107 0.963 . . . . 0.0 111.006 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -67.97 162.28 24.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.243 1.417 . . . . 0.0 112.371 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.64 -27.19 67.6 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.037 0.935 . . . . 0.0 112.966 169.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -75.29 -3.42 33.25 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.234 1.813 . . . . 0.0 113.917 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.13 6.06 82.23 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.369 1.462 . . . . 0.0 114.554 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.18 107.12 2.27 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 118.536 1.168 . . . . 0.0 112.193 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -81.74 139.64 34.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.575 1.15 . . . . 0.0 111.422 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.6 t -135.21 140.11 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.0 1.72 . . . . 0.0 109.754 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -140.41 140.37 35.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.022 1.329 . . . . 0.0 111.489 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mt -126.01 122.07 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 125.419 1.488 . . . . 0.0 108.29 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.84 168.44 31.58 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.592 1.092 . . . . 0.0 114.001 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 57.31 35.16 25.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.293 1.437 . . . . 0.0 114.571 171.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -74.63 129.18 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.102 1.761 . . . . 0.0 111.172 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -97.14 -26.22 15.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.937 1.295 . . . . 0.0 112.629 174.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -156.14 153.58 29.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -137.34 140.17 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.487 1.915 . . . . 0.0 109.834 176.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -134.84 127.87 31.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.781 1.233 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.21 131.09 35.49 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.8 0.84 . . . . 0.0 110.119 159.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -111.54 13.31 21.34 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.88 1.272 . . . . 0.0 113.301 -168.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.35 45.45 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.716 1.151 . . . . 0.0 114.302 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.1 -13.96 0.11 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.621 1.581 . . . . 0.0 114.342 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.44 168.88 22.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.845 2.058 . . . . 0.0 110.037 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.13 159.95 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 162.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -131.96 144.26 50.69 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.058 2.143 . . . . 0.0 110.165 176.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -134.92 131.72 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.868 2.067 . . . . 0.0 109.693 -175.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 91.7 m -131.45 130.8 42.94 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.727 0.694 . . . . 0.0 112.327 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.6 p -102.22 165.4 11.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.348 1.459 . . . . 0.0 113.135 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.84 -10.97 42.83 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -81.02 3.58 22.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.88 1.272 . . . . 0.0 113.397 174.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 t0 61.71 19.74 10.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.678 1.991 . . . . 0.0 113.693 -170.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -89.07 142.34 27.73 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.992 1.317 . . . . 0.0 111.463 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -126.3 142.3 51.58 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.464 1.506 . . . . 0.0 111.026 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -129.43 145.89 51.36 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.412 1.885 . . . . 0.0 110.099 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.84 143.96 35.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.712 0.805 . . . . 0.0 112.776 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -142.26 104.15 5.57 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 124.553 1.141 . . . . 0.0 111.275 -170.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.73 146.99 95.28 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.5 2.8 . . . . 0.0 113.347 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.62 4.33 80.85 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.855 1.102 . . . . 0.0 115.855 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.61 166.75 11.52 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.238 1.519 . . . . 0.0 112.836 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.68 160.98 40.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -77.17 119.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.529 -0.732 . . . . 0.0 109.138 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.86 -42.64 3.78 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.338 0.97 . . . . 0.0 114.044 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -150.37 147.93 28.19 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.39 1.076 . . . . 0.0 111.916 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.65 132.93 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.015 1.726 . . . . 0.0 109.925 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.59 109.71 11.6 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.98 1.712 . . . . 0.0 109.988 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.42 -41.18 48.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.08 0.952 . . . . 0.0 112.454 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -62.5 -48.86 77.73 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.29 1.036 . . . . 0.0 111.094 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -75.06 -23.4 58.07 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.65 1.18 . . . . 0.0 113.274 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.35 46.06 43.91 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.856 1.217 . . . . 0.0 113.01 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.62 139.1 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.691 1.196 . . . . 0.0 112.01 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -128.84 123.74 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.147 1.779 . . . . 0.0 108.46 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -104.89 125.87 51.37 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.062 0.945 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.38 150.03 20.72 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.9 1.28 . . . . 0.0 111.573 173.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.14 157.72 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.09 1.756 . . . . 0.0 110.644 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -76.42 122.88 25.15 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.872 0.869 . . . . 0.0 109.148 173.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.04 103.27 0.13 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.643 1.177 . . . . 0.0 113.051 -161.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -140.01 37.9 1.95 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.19 2.196 . . . . 0.0 109.193 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -64.31 -9.05 15.2 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.853 1.661 . . . . 0.0 115.407 -164.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.094 1.758 . . . . 0.0 114.012 178.666 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.427 0 CA-C-O 118.581 -1.122 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -64.76 -25.92 60.66 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.547 2.831 . . . . 0.0 115.24 -178.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.91 158.89 53.8 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.232 0.92 . . . . 0.0 114.24 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.5 p -73.67 -24.24 59.94 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.278 1.031 . . . . 0.0 113.056 171.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mmm 55.36 52.38 11.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.418 1.887 . . . . 0.0 114.404 174.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m -85.72 173.03 10.39 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.632 166.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 167.79 21.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 110.791 165.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.15 175.04 9.9 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.969 1.308 . . . . 0.0 111.461 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.58 141.78 35.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.257 0.623 . . . . 0.0 111.238 158.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.79 142.67 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.965 0.906 . . . . 0.0 109.316 162.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 p -132.57 138.44 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.281 1.432 . . . . 0.0 110.7 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -153.06 165.49 35.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.474 1.51 . . . . 0.0 111.568 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.6 m -135.92 130.68 34.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.454 1.102 . . . . 0.0 110.442 175.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.12 163.48 22.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.553 1.541 . . . . 0.0 112.498 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -27.21 69.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.016 0.926 . . . . 0.0 112.755 169.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -74.94 -4.55 38.8 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.04 1.736 . . . . 0.0 113.91 171.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.84 5.79 80.64 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.207 1.384 . . . . 0.0 114.652 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.97 113.61 3.77 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.569 1.184 . . . . 0.0 112.206 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -82.18 138.56 34.67 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.06 0.944 . . . . 0.0 111.161 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t -137.76 143.21 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.931 1.692 . . . . 0.0 110.093 -171.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.76 150.39 50.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.961 1.305 . . . . 0.0 111.81 171.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.5 mt -127.76 122.34 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.864 1.666 . . . . 0.0 108.327 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.93 166.21 32.38 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.194 0.902 . . . . 0.0 113.739 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 54.4 36.41 25.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.103 1.361 . . . . 0.0 113.889 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.13 129.4 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.084 1.354 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.0 -39.19 8.26 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.3 1.84 . . . . 0.0 111.075 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -155.25 161.99 41.0 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.65 138.19 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.556 1.943 . . . . 0.0 109.661 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -127.8 127.74 44.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.727 1.611 . . . . 0.0 110.9 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.12 138.3 31.54 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.835 0.854 . . . . 0.0 111.981 172.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -107.6 173.4 6.34 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.269 1.828 . . . . 0.0 110.597 168.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.15 45.64 1.17 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.874 1.226 . . . . 0.0 114.247 175.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.75 11.36 0.44 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.46 1.505 . . . . 0.0 115.881 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.19 168.9 25.85 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.432 1.616 . . . . 0.0 112.221 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.68 143.13 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.629 1.172 . . . . 0.0 111.421 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -120.89 143.69 48.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.705 2.002 . . . . 0.0 110.482 173.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.73 134.32 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.816 1.647 . . . . 0.0 109.728 -171.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -125.35 131.21 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.321 1.048 . . . . 0.0 111.109 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -90.33 166.68 13.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.125 0.97 . . . . 0.0 113.132 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.97 -23.36 53.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.644 1.977 . . . . 0.0 112.936 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -107.5 23.02 15.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.15 1.78 . . . . 0.0 113.071 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 62.46 20.14 11.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.897 2.079 . . . . 0.0 115.665 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -74.39 145.39 43.79 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.712 -1.243 . . . . 0.0 110.321 165.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -123.78 139.98 53.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.162 0.985 . . . . 0.0 111.571 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -132.39 147.96 52.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.564 1.545 . . . . 0.0 109.64 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 143.11 31.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.324 0.65 . . . . 0.0 112.386 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.68 103.85 5.86 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.871 1.268 . . . . 0.0 111.756 -168.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.5 145.93 54.24 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.002 2.468 . . . . 0.0 112.218 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.2 -3.07 87.48 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.542 1.544 . . . . 0.0 114.416 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.6 mt -94.21 162.91 13.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.798 1.299 . . . . 0.0 113.17 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.06 157.11 47.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.706 2.403 . . . . 0.0 110.074 165.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.57 114.89 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.2 -73.64 1.28 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.33 0.967 . . . . 0.0 112.813 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -141.24 148.31 39.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.808 1.243 . . . . 0.0 111.518 -171.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.78 139.51 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.568 1.547 . . . . 0.0 109.979 -169.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -143.38 99.28 3.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.417 1.487 . . . . 0.0 110.05 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -73.51 -28.99 62.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.146 1.378 . . . . 0.0 112.232 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -66.15 -40.49 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.015 1.726 . . . . 0.0 111.319 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -83.04 -30.16 28.28 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.073 1.349 . . . . 0.0 113.066 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.13 40.86 8.34 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.219 1.39 . . . . 0.0 113.177 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -131.39 139.59 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.981 1.312 . . . . 0.0 111.974 -169.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.8 mt -125.53 120.0 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 126.485 1.914 . . . . 0.0 108.59 170.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -105.19 121.74 44.47 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.036 1.335 . . . . 0.0 110.902 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -95.1 147.67 23.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.53 1.132 . . . . 0.0 110.964 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.95 157.7 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.233 1.413 . . . . 0.0 111.33 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -69.2 121.18 16.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.477 0.711 . . . . 0.0 110.78 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -54.77 111.6 0.85 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.416 1.487 . . . . 0.0 113.178 -166.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -140.31 59.55 1.56 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.792 2.037 . . . . 0.0 108.542 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -72.65 8.81 1.29 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -170.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.336 1.454 . . . . 0.0 113.561 174.236 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.876 -0.489 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.5 155.04 55.2 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.181 3.254 . . . . 0.0 114.029 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -78.8 -171.23 39.56 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.654 1.121 . . . . 0.0 114.173 175.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 21.3 m -60.66 145.42 49.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.546 1.138 . . . . 0.0 112.446 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 75.5 mtp -67.26 159.93 28.13 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.142 0.977 . . . . 0.0 113.545 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -128.23 167.33 17.02 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.757 1.623 . . . . 0.0 109.847 164.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -139.89 169.53 17.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.323 1.449 . . . . 0.0 110.019 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.66 178.53 7.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.848 0.859 . . . . 0.0 112.345 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -123.31 141.69 51.72 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 125.088 1.355 . . . . 0.0 111.564 163.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.69 142.71 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.816 0.846 . . . . 0.0 109.746 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.7 136.53 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.676 1.19 . . . . 0.0 111.232 173.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.81 165.72 33.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.558 1.543 . . . . 0.0 111.953 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 m -129.14 124.77 35.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.593 0.757 . . . . 0.0 109.959 170.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -66.45 160.13 25.62 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.863 1.665 . . . . 0.0 112.514 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.97 -20.7 66.29 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.337 1.055 . . . . 0.0 112.453 164.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.17 -9.98 27.53 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.495 2.318 . . . . 0.0 112.781 167.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.68 6.92 86.72 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 126.202 1.858 . . . . 0.0 114.052 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.19 125.08 8.45 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.713 1.149 . . . . 0.0 112.882 -175.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -77.09 140.97 40.42 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.542 1.137 . . . . 0.0 111.035 173.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -138.38 140.58 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 126.1 1.76 . . . . 0.0 110.857 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -123.17 146.53 47.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.962 1.305 . . . . 0.0 111.374 169.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 75.7 mt -129.29 113.41 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.546 1.538 . . . . 0.0 109.037 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.78 173.98 40.55 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.421 1.01 . . . . 0.0 114.853 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 56.31 34.45 24.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.417 1.887 . . . . 0.0 114.156 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.27 129.54 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.507 1.123 . . . . 0.0 110.941 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -100.52 -27.3 13.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.11 147.83 26.27 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.194 0.907 . . . . 0.0 113.185 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -140.36 143.63 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.192 1.797 . . . . 0.0 109.604 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -136.11 130.3 33.15 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.594 1.158 . . . . 0.0 111.258 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.83 129.69 34.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.431 0.634 . . . . 0.0 109.662 157.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.34 22.12 14.55 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.696 1.998 . . . . 0.0 111.703 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.45 -80.88 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.066 1.794 . . . . 0.0 111.755 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.58 90.51 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.367 0.984 . . . . 0.0 115.16 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.08 171.72 19.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.773 1.629 . . . . 0.0 110.856 -174.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 m -119.26 161.86 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.231 0.612 . . . . 0.0 112.545 158.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -131.05 147.52 52.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.213 2.205 . . . . 0.0 111.411 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 83.6 t -136.54 129.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.566 1.946 . . . . 0.0 108.907 -173.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.7 m -128.35 133.13 48.6 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.442 1.019 . . . . 0.0 112.395 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.7 p -91.53 167.14 12.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.424 1.489 . . . . 0.0 114.14 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -51.87 -26.95 11.2 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.771 2.428 . . . . 0.0 113.954 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -101.24 15.05 30.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.683 1.593 . . . . 0.0 113.92 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t0 61.78 14.95 6.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.997 2.119 . . . . 0.0 115.143 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -78.74 147.56 33.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.663 -1.273 . . . . 0.0 110.381 162.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.73 159.19 39.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.836 0.854 . . . . 0.0 113.248 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -132.55 152.57 51.54 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.088 2.155 . . . . 0.0 109.661 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 137.41 28.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.178 0.991 . . . . 0.0 112.145 -175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.91 98.69 7.67 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.361 1.065 . . . . 0.0 111.997 -171.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -61.0 144.54 99.59 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.262 2.641 . . . . 0.0 112.428 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.52 82.46 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 115.375 0.91 . . . . 0.0 115.375 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 81.1 mt -113.21 161.82 16.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 0.0 111.715 170.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.93 44.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.862 2.065 . . . . 0.0 110.901 172.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.9 121.34 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.318 -0.864 . . . . 0.0 109.685 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.62 -40.91 3.75 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.056 1.312 . . . . 0.0 113.828 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -150.42 145.53 26.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.634 1.174 . . . . 0.0 111.972 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -128.19 126.53 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.704 1.602 . . . . 0.0 108.305 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -131.92 106.88 8.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.201 1.0 . . . . 0.0 110.599 -173.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.12 -21.64 39.7 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.462 1.105 . . . . 0.0 112.355 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -64.52 -45.43 87.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 110.766 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.2 t -92.56 -26.5 17.87 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.666 1.187 . . . . 0.0 113.287 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.88 44.93 13.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.015 0.817 . . . . 0.0 112.223 -172.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.3 t -131.02 140.07 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.627 1.171 . . . . 0.0 112.009 -172.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.6 mt -123.89 113.27 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.446 . . . . 0.0 108.062 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -98.62 129.25 45.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.187 0.995 . . . . 0.0 111.48 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.46 151.59 21.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.472 1.109 . . . . 0.0 112.695 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.91 157.75 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.324 1.85 . . . . 0.0 111.296 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -72.08 120.9 18.34 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 112.009 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -64.51 129.47 39.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.056 0.942 . . . . 0.0 111.387 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -149.48 24.93 0.88 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.746 1.219 . . . . 0.0 113.163 -168.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -83.15 -4.57 58.52 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 127.693 2.397 . . . . 0.0 113.137 -176.769 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 112.271 -0.332 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.74 155.68 69.0 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.01 3.14 . . . . 0.0 112.849 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.64 150.98 48.9 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 123.926 0.774 . . . . 0.0 113.606 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 69.2 p -74.01 156.82 37.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.057 1.343 . . . . 0.0 112.327 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp -72.03 150.51 43.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.631 0.773 . . . . 0.0 112.792 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.7 m -141.62 150.32 41.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.017 1.727 . . . . 0.0 110.816 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.19 171.17 20.25 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.701 1.6 . . . . 0.0 111.142 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.75 -170.5 2.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.834 1.254 . . . . 0.0 112.391 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -122.86 132.43 54.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 110.939 161.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.74 143.89 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.106 1.363 . . . . 0.0 109.851 170.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -137.09 140.83 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.974 0.909 . . . . 0.0 111.878 169.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pp -153.42 170.74 19.98 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.942 2.097 . . . . 0.0 110.673 -178.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.0 m -133.61 133.57 42.16 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.305 -0.872 . . . . 0.0 111.862 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -70.72 165.27 23.36 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.426 1.89 . . . . 0.0 112.541 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.23 -24.6 67.95 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.702 1.201 . . . . 0.0 113.069 171.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -72.62 -8.36 54.87 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.006 1.722 . . . . 0.0 113.603 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.52 4.87 89.96 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.147 1.356 . . . . 0.0 114.474 -170.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.14 124.19 6.44 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.693 1.139 . . . . 0.0 111.919 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -76.99 143.33 39.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.163 0.982 . . . . 0.0 111.347 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -128.98 134.75 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 126.471 1.909 . . . . 0.0 109.412 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.71 134.21 30.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.863 1.265 . . . . 0.0 110.557 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.14 108.44 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.963 1.305 . . . . 0.0 109.3 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.4 164.95 47.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.521 1.058 . . . . 0.0 113.978 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 55.45 35.12 24.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.865 1.666 . . . . 0.0 114.713 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -69.1 125.78 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.047 -1.033 . . . . 0.0 110.217 170.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.2 mt -90.11 -35.46 15.42 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.68 0.792 . . . . 0.0 111.608 171.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -155.75 156.36 34.69 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 t -139.69 150.83 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.339 1.855 . . . . 0.0 110.081 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -127.53 144.22 51.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.371 1.868 . . . . 0.0 110.782 170.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.88 129.72 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.131 0.972 . . . . 0.0 110.813 166.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -102.74 172.56 6.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.351 1.86 . . . . 0.0 110.548 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.87 61.06 0.95 Allowed Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.12 1.343 . . . . 0.0 113.923 174.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.66 5.32 1.73 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.907 1.718 . . . . 0.0 115.895 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.95 167.54 27.75 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.587 1.694 . . . . 0.0 112.856 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -124.79 154.42 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.044 0.938 . . . . 0.0 112.988 162.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -133.53 122.27 23.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.487 1.915 . . . . 0.0 110.098 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -110.73 136.72 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.066 2.146 . . . . 0.0 110.122 -173.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -127.75 127.84 44.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.62 0.768 . . . . 0.0 112.436 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -93.03 167.22 11.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.937 1.295 . . . . 0.0 113.722 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -53.27 -30.08 36.54 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.182 1.793 . . . . 0.0 113.255 171.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -85.23 10.08 13.38 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.749 1.62 . . . . 0.0 113.381 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 62.81 15.38 8.15 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.937 2.095 . . . . 0.0 114.902 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.33 139.5 39.78 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.322 -0.861 . . . . 0.0 111.275 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -113.93 138.12 50.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.066 1.347 . . . . 0.0 111.319 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -133.42 124.93 27.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.204 1.402 . . . . 0.0 109.751 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.91 139.98 50.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.848 0.859 . . . . 0.0 112.167 -173.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -138.51 93.6 11.06 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.11 1.364 . . . . 0.0 111.549 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -61.89 145.58 96.9 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.688 2.925 . . . . 0.0 112.445 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.2 86.75 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.792 1.187 . . . . 0.0 115.087 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.9 mt -105.94 160.33 15.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.895 1.278 . . . . 0.0 111.914 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.78 160.43 39.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.96 2.504 . . . . 0.0 110.558 172.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.2 115.49 15.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.442 0.697 . . . . 0.0 109.328 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.65 -38.47 4.69 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.086 1.327 . . . . 0.0 114.037 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -143.23 145.31 32.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.44 1.496 . . . . 0.0 111.731 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.69 121.09 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.783 1.233 . . . . 0.0 108.462 160.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -110.44 95.68 5.72 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.762 1.625 . . . . 0.0 109.842 174.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.11 -38.17 87.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.844 0.858 . . . . 0.0 111.522 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -66.01 -40.47 91.11 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.558 1.543 . . . . 0.0 112.988 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -88.94 -22.33 23.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.45 44.6 32.95 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.257 0.932 . . . . 0.0 113.043 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -134.92 142.2 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.732 1.213 . . . . 0.0 112.1 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.25 134.42 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.884 1.674 . . . . 0.0 108.1 170.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -121.27 132.24 54.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.021 0.928 . . . . 0.0 111.515 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.53 143.15 33.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.596 1.158 . . . . 0.0 111.72 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.42 157.52 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.129 1.772 . . . . 0.0 111.649 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -70.55 117.65 12.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.802 0.841 . . . . 0.0 112.574 -176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.38 135.81 40.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.934 0.894 . . . . 0.0 111.323 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -150.7 11.26 0.66 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -156.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -78.81 2.44 19.88 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 . . . . . 0 C--O 1.255 1.372 0 C-N-CA 125.483 1.513 . . . . 0.0 112.89 175.789 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 CA-C-O 119.573 -0.571 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.17 167.54 12.41 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.663 3.575 . . . . 0.0 114.216 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 86.16 -145.8 20.77 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.63 1.11 . . . . 0.0 113.671 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.4 m 59.47 20.66 9.07 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.572 1.949 . . . . 0.0 115.175 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.1 mtp -80.52 157.97 25.96 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.427 1.491 . . . . 0.0 111.775 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 57.4 m -120.66 28.8 7.76 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.864 1.266 . . . . 0.0 113.679 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.78 149.14 18.79 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.502 1.121 . . . . 0.0 112.788 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.2 -176.65 3.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.531 1.133 . . . . 0.0 112.101 -172.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -113.39 146.05 40.13 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.791 0.836 . . . . 0.0 111.835 159.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.49 141.83 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 109.402 167.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.89 139.9 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.182 1.393 . . . . 0.0 110.659 167.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -144.47 143.01 30.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.861 1.264 . . . . 0.0 111.83 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 92.1 m -97.09 132.8 42.52 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.945 1.298 . . . . 0.0 111.135 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -76.19 163.41 27.09 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.686 1.994 . . . . 0.0 113.109 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.36 67.85 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.628 1.171 . . . . 0.0 113.187 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -87.94 3.2 49.51 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.708 1.203 . . . . 0.0 113.717 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 2.16 87.87 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.587 1.565 . . . . 0.0 115.114 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.43 -178.24 39.27 Favored Glycine 0 CA--C 1.542 1.738 0 CA-C-N 118.503 1.151 . . . . 0.0 112.95 171.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -138.32 150.78 46.95 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.332 -1.099 . . . . 0.0 113.628 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.5 t -130.01 138.04 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.205 1.802 . . . . 0.0 109.566 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -123.36 146.68 47.76 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.37 1.468 . . . . 0.0 112.139 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.6 mt -130.15 120.56 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.357 1.463 . . . . 0.0 108.427 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.97 165.64 30.65 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.094 0.854 . . . . 0.0 114.354 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 52.05 42.48 30.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.968 1.707 . . . . 0.0 114.401 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.4 123.11 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.126 1.771 . . . . 0.0 110.854 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.52 -33.32 20.34 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.267 1.427 . . . . 0.0 112.693 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -162.81 149.5 12.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.218 1.007 . . . . 0.0 113.207 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.8 t -132.2 133.89 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.897 2.079 . . . . 0.0 110.298 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.62 137.94 51.8 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.962 1.705 . . . . 0.0 110.747 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.11 124.19 41.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.462 0.705 . . . . 0.0 110.431 161.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -89.49 179.16 6.12 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.673 1.589 . . . . 0.0 111.42 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.73 -13.26 50.94 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.787 -1.195 . . . . 0.0 115.505 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.86 24.73 0.26 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.188 1.375 . . . . 0.0 115.035 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.35 169.28 24.36 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.84 1.32 . . . . 0.0 112.313 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -121.15 144.47 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.519 1.127 . . . . 0.0 110.962 167.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -122.09 145.81 47.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.615 1.966 . . . . 0.0 110.964 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.81 131.05 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.713 1.605 . . . . 0.0 110.24 -173.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -123.57 132.51 53.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.214 1.006 . . . . 0.0 112.068 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -100.75 166.5 10.84 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.618 1.167 . . . . 0.0 114.116 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 tp -53.93 -26.07 23.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.29 2.236 . . . . 0.0 113.962 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -103.53 21.96 15.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.107 1.363 . . . . 0.0 113.216 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t0 60.88 23.55 13.58 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.67 1.988 . . . . 0.0 115.01 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.29 148.27 27.47 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.966 -1.084 . . . . 0.0 110.629 166.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -128.6 136.41 50.66 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.489 1.116 . . . . 0.0 111.253 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -123.9 146.36 48.49 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.921 1.688 . . . . 0.0 109.591 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.39 140.68 37.49 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.875 0.87 . . . . 0.0 112.645 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.56 107.95 7.17 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 125.095 1.358 . . . . 0.0 111.637 -169.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.8 146.45 48.19 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.851 2.367 . . . . 0.0 112.248 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.74 4.07 84.67 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.421 1.486 . . . . 0.0 115.378 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 mt -91.07 164.21 14.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.751 1.275 . . . . 0.0 112.438 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.12 156.59 45.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.238 2.215 . . . . 0.0 110.615 165.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -73.22 110.39 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.26 -40.82 4.43 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.76 1.171 . . . . 0.0 114.203 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -144.87 148.33 33.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.754 1.222 . . . . 0.0 111.559 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -134.56 133.73 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.529 1.532 . . . . 0.0 109.022 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -143.55 97.12 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.35 1.46 . . . . 0.0 109.75 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.0 mt -77.68 -18.58 56.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.191 1.396 . . . . 0.0 112.908 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -70.88 -45.2 64.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.253 1.421 . . . . 0.0 110.164 173.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -82.91 -23.81 33.37 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.819 1.247 . . . . 0.0 113.3 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.04 43.17 14.33 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.231 1.396 . . . . 0.0 113.238 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.28 139.08 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.509 1.523 . . . . 0.0 112.07 -173.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 66.6 mt -124.54 130.67 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.619 1.968 . . . . 0.0 109.094 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -112.33 126.31 55.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.305 1.042 . . . . 0.0 111.066 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.23 145.52 27.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.304 1.041 . . . . 0.0 111.371 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.54 155.62 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.865 1.666 . . . . 0.0 111.121 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -74.16 116.02 14.32 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.246 1.018 . . . . 0.0 110.408 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.85 110.77 6.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.091 0.957 . . . . 0.0 112.118 -168.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -137.09 41.0 2.48 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.856 1.663 . . . . 0.0 110.899 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -71.41 -11.87 61.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.201 1.0 . . . . 0.0 113.032 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 C--O 1.255 1.39 0 C-N-CA 124.789 1.236 . . . . 0.0 113.509 170.127 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.545 0.761 0 CA-C-O 121.281 0.562 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 163.95 31.43 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.813 1.645 . . . . 0.0 110.203 171.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.86 172.08 10.71 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.942 0.897 . . . . 0.0 112.558 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -100.86 152.06 20.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.526 0.73 . . . . 0.0 111.232 156.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.3 t -111.07 140.24 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.817 1.247 . . . . 0.0 109.321 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 p -128.76 138.1 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.959 1.303 . . . . 0.0 111.626 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 CA--C 1.546 0.808 0 C-N-CA 125.927 1.691 . . . . 0.0 111.249 -175.792 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.478 0.656 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -140.16 137.26 34.27 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.897 1.679 . . . . 0.0 110.674 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -127.72 125.35 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.449 1.499 . . . . 0.0 108.634 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.1 169.8 26.94 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.464 1.03 . . . . 0.0 114.301 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 54.41 35.05 22.2 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.698 1.599 . . . . 0.0 114.196 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.87 125.84 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.609 1.164 . . . . 0.0 110.91 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -90.92 -41.97 10.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.61 1.964 . . . . 0.0 111.256 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -154.98 157.02 37.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.752 1.221 . . . . 0.0 112.837 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.0 139.15 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.114 1.766 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -135.79 124.45 23.77 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.89 1.276 . . . . 0.0 110.985 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.44 109.71 20.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.347 1.059 . . . . 0.0 110.06 168.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -81.0 174.41 11.65 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.772 1.229 . . . . 0.0 111.177 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.01 42.28 0.6 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.645 1.593 . . . . 0.0 115.151 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.86 -1.01 0.09 OUTLIER Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.234 1.397 . . . . 0.0 116.443 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.07 155.55 29.46 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.599 1.56 . . . . 0.0 112.351 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.5 136.08 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.745 0.818 . . . . 0.0 110.97 166.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -113.21 143.58 44.14 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.718 2.007 . . . . 0.0 110.727 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.78 126.2 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 109.403 -174.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -121.43 132.73 54.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.215 1.006 . . . . 0.0 110.961 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.8 p -88.7 163.84 15.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 122.329 1.062 . . . . 0.0 113.419 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.1 tp -56.86 -24.9 54.91 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.411 2.284 . . . . 0.0 112.987 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.2 23.05 15.05 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.287 1.835 . . . . 0.0 113.196 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 62.02 28.72 17.4 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.704 2.001 . . . . 0.0 115.136 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.5 157.04 18.26 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.947 -1.095 . . . . 0.0 110.429 162.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -139.13 143.26 38.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.422 1.089 . . . . 0.0 112.383 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -129.78 149.18 51.63 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.877 2.071 . . . . 0.0 110.099 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 141.34 30.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.972 0.909 . . . . 0.0 112.659 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -141.29 105.05 6.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.316 1.446 . . . . 0.0 111.365 -168.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.99 147.09 60.63 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.665 2.243 . . . . 0.0 112.108 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 16.04 80.98 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 115.229 0.852 . . . . 0.0 115.229 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -107.28 162.76 13.61 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 112.447 171.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 160.46 39.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.914 2.086 . . . . 0.0 109.965 166.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.4 mt -77.56 122.28 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.005 -1.059 . . . . 0.0 109.709 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.21 -44.78 2.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.724 1.631 . . . . 0.0 114.822 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -142.27 151.02 41.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.052 1.341 . . . . 0.0 112.814 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -137.47 106.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 126.139 1.775 . . . . 0.0 108.569 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -113.87 87.54 2.64 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.116 1.366 . . . . 0.0 110.349 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.488 HD22 ' H ' ' A' ' 53' ' ' LEU . 2.1 mm? -63.87 -32.41 73.93 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.172 0.989 . . . . 0.0 111.941 -176.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 ttm105 -56.24 -35.47 67.42 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.0 1.32 . . . . 0.0 112.623 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -106.03 -18.18 14.11 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.587 1.555 . . . . 0.0 114.029 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.86 37.48 50.85 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.6 1.095 . . . . 0.0 113.546 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.8 t -124.55 133.0 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.329 1.052 . . . . 0.0 111.975 -172.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.3 mt -119.43 133.0 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 108.669 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -122.86 127.49 49.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.96 0.904 . . . . 0.0 111.244 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 mt -100.31 150.01 23.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.976 1.311 . . . . 0.0 112.199 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.99 157.82 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.444 1.898 . . . . 0.0 110.855 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 123.845 0.858 . . . . 0.0 111.727 -178.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -146.38 -178.55 6.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.716 0.807 . . . . 0.0 113.013 -169.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -122.03 142.5 50.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.753 1.221 . . . . 0.0 112.289 167.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -97.32 139.32 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.821 1.248 . . . . 0.0 109.894 174.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -126.35 141.29 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.163 1.385 . . . . 0.0 110.856 168.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.756 -176.648 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.24 139.49 35.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.721 1.209 . . . . 0.0 111.62 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.0 mt -130.51 119.14 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.58 1.952 . . . . 0.0 109.602 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.3 168.21 36.55 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.386 0.993 . . . . 0.0 114.531 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 56.94 34.57 25.08 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.027 1.731 . . . . 0.0 115.18 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.68 133.26 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.33 1.852 . . . . 0.0 111.299 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -107.44 -22.62 12.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.913 1.285 . . . . 0.0 113.863 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -155.22 151.66 28.39 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -134.35 137.67 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.823 2.049 . . . . 0.0 109.285 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -133.51 131.72 40.14 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.709 1.204 . . . . 0.0 111.453 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.78 110.39 21.73 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.785 0.834 . . . . 0.0 110.236 167.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.2 173.74 11.84 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.212 1.405 . . . . 0.0 111.285 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.84 43.43 0.78 Allowed Glycine 0 CA--C 1.544 1.858 0 C-N-CA 125.722 1.629 . . . . 0.0 115.413 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.19 -1.99 0.19 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.925 1.25 . . . . 0.0 115.887 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.76 162.16 40.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.39 1.595 . . . . 0.0 112.295 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.89 134.87 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.508 0.723 . . . . 0.0 110.933 164.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -106.41 146.25 30.72 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.062 2.145 . . . . 0.0 111.0 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -138.44 133.46 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.122 1.769 . . . . 0.0 109.574 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -131.18 132.05 44.46 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 0.82 . . . . 0.0 112.345 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.3 p -91.31 167.66 12.14 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -53.96 -30.74 48.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.354 2.262 . . . . 0.0 113.111 169.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -96.52 18.47 14.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.172 1.389 . . . . 0.0 113.122 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 60.8 25.48 15.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.649 1.98 . . . . 0.0 114.734 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -81.02 126.75 31.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.155 -0.966 . . . . 0.0 109.302 166.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -104.59 138.13 41.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.223 1.009 . . . . 0.0 111.207 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.29 146.59 50.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.975 1.71 . . . . 0.0 109.343 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.47 140.48 30.38 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.631 0.772 . . . . 0.0 112.303 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.6 109.91 8.73 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 125.222 1.409 . . . . 0.0 111.378 -170.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -71.04 146.69 52.93 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.976 2.451 . . . . 0.0 112.381 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.28 7.54 87.77 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.941 1.258 . . . . 0.0 115.319 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.86 164.99 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.084 1.442 . . . . 0.0 113.112 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.62 158.36 44.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.901 2.081 . . . . 0.0 110.566 166.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.4 mt -77.96 120.75 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.466 -0.771 . . . . 0.0 109.461 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.31 -51.14 1.62 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.934 1.254 . . . . 0.0 114.471 -172.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -145.92 148.23 32.58 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.755 1.222 . . . . 0.0 112.013 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.25 135.45 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.613 1.965 . . . . 0.0 109.128 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -139.46 111.26 7.27 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 110.316 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -84.94 -20.61 30.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.452 1.101 . . . . 0.0 112.485 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -69.11 -49.84 53.48 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.162 1.385 . . . . 0.0 110.425 171.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.8 m -82.64 -23.27 34.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.32 48.61 29.98 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.928 0.775 . . . . 0.0 112.339 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.0 t -133.98 140.44 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.716 1.207 . . . . 0.0 111.374 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.76 133.77 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.601 1.56 . . . . 0.0 109.479 167.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.51 126.91 55.47 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.676 1.19 . . . . 0.0 111.258 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.7 151.27 20.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.088 1.355 . . . . 0.0 111.831 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.43 158.48 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.671 1.588 . . . . 0.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.472 0.648 0 C-N-CA 123.902 0.881 . . . . 0.0 110.883 177.432 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.012 0.435 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.75 164.56 30.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.635 1.574 . . . . 0.0 110.574 170.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.78 -175.69 4.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.424 1.089 . . . . 0.0 111.6 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -120.19 145.38 47.04 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.803 0.841 . . . . 0.0 112.716 164.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -90.12 145.12 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.341 1.056 . . . . 0.0 110.369 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.19 137.8 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.102 1.361 . . . . 0.0 110.748 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 126.483 1.913 . . . . 0.0 110.464 178.046 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -136.71 146.2 45.58 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.911 1.285 . . . . 0.0 112.137 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.9 mt -130.46 120.55 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.86 1.664 . . . . 0.0 108.565 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 173.8 38.54 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.176 0.893 . . . . 0.0 114.452 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 55.8 35.84 26.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.052 1.741 . . . . 0.0 114.319 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.19 127.62 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.618 1.567 . . . . 0.0 111.975 -174.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.7 mt -90.21 -31.89 16.83 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.581 1.552 . . . . 0.0 112.974 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -155.78 151.89 27.79 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.7 137.82 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 127.322 2.249 . . . . 0.0 109.019 174.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -146.19 122.88 11.18 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.456 0.702 . . . . 0.0 112.81 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 139.04 36.51 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.56 0.695 . . . . 0.0 109.803 161.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -132.73 -169.49 2.26 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.566 1.946 . . . . 0.0 110.517 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.26 -12.71 25.52 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 117.184 1.633 . . . . 0.0 117.184 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.82 20.84 0.1 Allowed Glycine 0 CA--C 1.536 1.388 0 CA-C-N 119.107 1.453 . . . . 0.0 115.542 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.25 165.61 31.11 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.734 1.214 . . . . 0.0 112.021 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -107.84 140.24 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.396 0.678 . . . . 0.0 110.334 158.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -121.61 147.76 45.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.309 1.444 . . . . 0.0 111.371 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -138.51 126.81 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.835 1.654 . . . . 0.0 109.864 -169.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.8 m -121.72 133.08 54.94 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.76 0.824 . . . . 0.0 111.461 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.4 p -97.88 168.29 10.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.242 1.417 . . . . 0.0 114.207 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.78 -25.03 17.23 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.934 2.493 . . . . 0.0 114.334 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.3 17.73 23.49 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.344 1.458 . . . . 0.0 113.276 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 62.01 14.21 6.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.382 2.273 . . . . 0.0 114.983 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -76.32 145.63 39.41 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.758 -1.214 . . . . 0.0 110.391 165.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -132.39 143.99 50.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.313 1.045 . . . . 0.0 111.765 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -124.41 150.03 46.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.818 1.647 . . . . 0.0 110.236 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.68 35.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.737 1.215 . . . . 0.0 111.797 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -138.73 102.2 7.82 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 125.403 1.481 . . . . 0.0 110.844 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.66 144.37 65.79 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.678 2.252 . . . . 0.0 112.021 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.06 15.75 81.35 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.371 0.986 . . . . 0.0 115.34 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.88 164.06 12.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.989 1.394 . . . . 0.0 112.817 171.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.4 163.92 31.73 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.837 2.455 . . . . 0.0 109.957 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.6 mt -79.98 124.72 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.35 -40.34 3.25 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.768 1.175 . . . . 0.0 114.301 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.5 mtm-85 -142.96 151.8 41.3 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.187 0.995 . . . . 0.0 112.645 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -123.66 107.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 126.266 1.826 . . . . 0.0 107.307 164.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -104.44 61.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.724 2.01 . . . . 0.0 109.646 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.68 -21.9 66.85 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.993 1.317 . . . . 0.0 113.342 -172.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -54.64 -30.55 55.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.3 1.84 . . . . 0.0 112.691 167.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.6 m -115.3 -2.22 12.72 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.99 65.56 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.31 0.957 . . . . 0.0 113.996 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.37 141.98 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.903 1.351 . . . . 0.0 112.114 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.94 128.63 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.592 1.557 . . . . 0.0 109.502 171.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 m -110.11 129.56 55.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.594 1.157 . . . . 0.0 111.361 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.1 mt -99.99 153.81 18.89 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.423 1.089 . . . . 0.0 112.598 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.71 159.46 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.397 1.879 . . . . 0.0 111.084 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 124.493 1.117 . . . . 0.0 112.21 -178.595 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.803 0.335 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.52 178.05 7.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.533 1.533 . . . . 0.0 111.707 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -109.97 141.71 42.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.276 0.631 . . . . 0.0 111.952 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.57 146.4 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.188 0.995 . . . . 0.0 110.54 167.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.97 134.59 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.53 1.132 . . . . 0.0 111.566 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 126.487 1.915 . . . . 0.0 110.661 178.612 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -137.81 147.08 44.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.2 1.0 . . . . 0.0 111.838 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -129.93 121.69 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.484 1.514 . . . . 0.0 108.437 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 167.73 37.75 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.193 0.901 . . . . 0.0 114.507 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 55.27 35.87 25.83 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.963 1.705 . . . . 0.0 113.891 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.65 133.89 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.978 1.711 . . . . 0.0 111.276 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 41.2 mt -109.21 -22.07 12.27 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.308 1.443 . . . . 0.0 114.028 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -154.89 151.88 29.1 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.647 1.112 . . . . 0.0 113.763 168.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -137.29 130.49 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.641 1.976 . . . . 0.0 108.402 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -141.18 127.59 19.92 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.584 0.629 . . . . 0.0 111.717 -170.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.29 29.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.987 0.915 . . . . 0.0 111.644 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -134.18 -175.45 3.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.045 2.138 . . . . 0.0 110.304 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.42 77.0 0.19 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 113.73 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.35 14.94 24.64 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.671 1.605 . . . . 0.0 115.541 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.06 166.31 33.67 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.616 . . . . 0.0 113.557 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -122.29 136.95 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 125.643 1.577 . . . . 0.0 111.179 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -107.56 150.27 27.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.162 2.185 . . . . 0.0 111.248 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.45 133.09 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.496 1.918 . . . . 0.0 109.745 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -135.5 138.39 43.07 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.002 0.819 . . . . 0.0 112.87 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.5 p -98.86 170.47 8.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.43 -25.95 27.95 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.512 2.325 . . . . 0.0 113.934 169.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -104.06 17.26 24.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.384 1.474 . . . . 0.0 112.948 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 59.96 22.93 12.02 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.923 2.089 . . . . 0.0 114.846 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -74.16 136.41 42.86 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.63 166.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -115.95 139.38 50.3 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.985 0.914 . . . . 0.0 111.468 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -131.4 148.04 52.62 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.344 1.858 . . . . 0.0 109.666 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.95 143.85 32.14 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -138.89 113.93 8.46 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.226 1.411 . . . . 0.0 110.796 -171.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.95 149.15 41.54 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.869 2.379 . . . . 0.0 112.172 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.59 12.18 84.75 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.941 1.257 . . . . 0.0 115.416 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 60.7 mt -107.5 164.0 12.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.971 1.308 . . . . 0.0 112.97 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.74 163.29 33.0 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.693 2.397 . . . . 0.0 110.412 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.91 125.33 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.066 -1.021 . . . . 0.0 109.427 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.37 -65.03 0.9 Allowed Glycine 0 N--CA 1.47 0.932 0 C-N-CA 124.459 1.028 . . . . 0.0 113.616 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -143.13 150.59 39.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.396 1.079 . . . . 0.0 112.188 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.45 110.84 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.027 1.731 . . . . 0.0 109.559 -168.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.75 100.23 9.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.622 1.169 . . . . 0.0 110.374 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.433 HD22 ' H ' ' B' ' 53' ' ' LEU . 2.2 mm? -66.94 -35.35 79.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.624 -0.672 . . . . 0.0 110.432 169.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -58.83 -28.29 65.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.408 1.883 . . . . 0.0 114.302 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.7 m -121.17 -12.15 8.73 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.48 43.61 44.34 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.664 1.126 . . . . 0.0 113.647 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.44 137.27 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 118.59 1.195 . . . . 0.0 112.335 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.26 111.46 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.161 1.785 . . . . 0.0 108.568 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 t -99.34 127.12 45.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.823 1.249 . . . . 0.0 111.708 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.29 150.36 23.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.596 1.558 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.93 158.07 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.741 1.617 . . . . 0.0 111.806 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 123.446 0.698 . . . . 0.0 111.941 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 CA--C 1.549 0.912 0 CA-C-O 121.087 0.47 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -147.71 160.81 42.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.929 1.692 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.9 168.35 18.02 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -106.82 117.4 33.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.099 1.759 . . . . 0.0 110.745 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.98 141.36 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.988 0.515 . . . . 0.0 109.96 168.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -140.76 139.87 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.871 1.269 . . . . 0.0 112.553 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.543 0.697 0 C-N-CA 127.517 2.327 . . . . 0.0 110.953 -179.466 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -142.05 152.88 43.77 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.079 0.952 . . . . 0.0 113.039 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -132.54 120.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.074 1.75 . . . . 0.0 108.333 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.94 175.53 41.76 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.632 1.111 . . . . 0.0 114.165 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.03 30.94 19.06 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.046 1.738 . . . . 0.0 114.162 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -76.14 125.33 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.462 1.105 . . . . 0.0 110.973 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -99.0 -20.41 16.76 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -152.74 153.14 32.61 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.669 1.122 . . . . 0.0 113.83 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.55 151.24 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.214 1.406 . . . . 0.0 111.199 168.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mtm105 -138.24 126.92 23.6 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.034 1.734 . . . . 0.0 110.488 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.4 106.62 18.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.46 1.104 . . . . 0.0 108.914 166.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -107.77 -170.04 1.62 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.348 1.859 . . . . 0.0 112.115 -169.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.33 75.6 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.732 1.634 . . . . 0.0 114.092 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.43 12.53 51.02 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.857 1.694 . . . . 0.0 115.469 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.05 153.27 25.71 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.056 1.428 . . . . 0.0 112.412 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.15 140.1 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.616 0.766 . . . . 0.0 110.554 164.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -122.22 149.26 43.92 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.352 1.461 . . . . 0.0 111.871 171.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.1 t -142.08 131.08 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.399 1.88 . . . . 0.0 109.265 -166.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.8 m -131.74 132.75 44.11 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.751 1.16 . . . . 0.0 112.711 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 p -84.48 172.18 11.91 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.26 -24.91 3.2 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.423 2.289 . . . . 0.0 114.04 165.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.57 16.94 25.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 112.786 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 61.11 18.81 9.39 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 115.25 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.64 119.02 21.31 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.024 -1.048 . . . . 0.0 109.997 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.33 140.34 31.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.8 0.84 . . . . 0.0 112.799 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -125.58 151.23 46.7 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.799 2.04 . . . . 0.0 109.907 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.46 140.73 39.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.959 0.904 . . . . 0.0 112.844 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -139.02 105.03 7.32 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 125.211 1.405 . . . . 0.0 111.066 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.2 149.39 57.69 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.129 2.553 . . . . 0.0 112.593 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.57 10.29 85.84 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.745 1.164 . . . . 0.0 115.519 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -105.31 163.06 12.9 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.933 1.366 . . . . 0.0 112.197 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.05 161.5 35.9 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.186 2.194 . . . . 0.0 110.003 165.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -76.68 118.66 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.94 -42.46 5.34 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.958 1.266 . . . . 0.0 113.358 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -143.16 155.21 44.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.983 . . . . 0.0 112.855 173.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.57 115.34 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.122 1.769 . . . . 0.0 107.089 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -131.11 97.45 4.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.476 1.111 . . . . 0.0 110.364 -169.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.16 -24.66 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.422 1.489 . . . . 0.0 112.066 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.07 -46.03 89.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.549 1.539 . . . . 0.0 110.567 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -77.44 -32.92 54.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.146 0.978 . . . . 0.0 112.804 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.67 29.04 40.6 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.307 1.432 . . . . 0.0 113.067 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.02 144.38 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.337 1.455 . . . . 0.0 111.922 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.06 110.47 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.905 1.682 . . . . 0.0 109.032 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -86.78 120.17 27.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.921 1.289 . . . . 0.0 110.493 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -93.81 153.2 18.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.425 0.69 . . . . 0.0 112.34 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.25 159.11 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.296 1.839 . . . . 0.0 111.2 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 124.393 1.077 . . . . 0.0 111.942 -178.63 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 ppp? . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.18 165.19 25.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.94 1.296 . . . . 0.0 114.143 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -124.21 126.73 46.61 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.202 1.801 . . . . 0.0 109.672 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t -95.81 142.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.029 1.332 . . . . 0.0 110.096 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.76 138.0 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.679 1.592 . . . . 0.0 110.878 167.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.468 0.46 0 C-N-CA 125.47 1.508 . . . . 0.0 111.439 177.911 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.435 0.16 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -137.33 145.19 43.09 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.924 1.29 . . . . 0.0 111.796 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -139.3 119.65 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.319 1.448 . . . . 0.0 109.582 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.06 -179.91 41.27 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.567 1.08 . . . . 0.0 113.562 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 59.57 28.57 18.01 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.7 t -81.26 135.12 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 111.174 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.3 mt -99.37 -34.9 10.11 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -150.82 158.48 44.2 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.6 t -132.7 139.92 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.976 2.111 . . . . 0.0 108.847 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -131.27 135.66 47.51 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.109 1.364 . . . . 0.0 111.855 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.44 145.79 24.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.826 1.25 . . . . 0.0 111.85 170.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -128.1 173.08 10.39 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.491 1.917 . . . . 0.0 110.288 168.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.58 40.02 0.5 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.209 1.862 . . . . 0.0 115.476 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.9 8.53 0.06 OUTLIER Glycine 0 CA--C 1.54 1.615 0 C-N-CA 126.111 1.815 . . . . 0.0 115.456 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.05 164.11 33.41 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.985 1.893 . . . . 0.0 113.136 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -119.94 145.9 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.773 1.229 . . . . 0.0 110.994 163.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -124.96 143.88 50.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.699 1.999 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.87 132.92 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.272 1.829 . . . . 0.0 110.006 -171.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 93.4 m -127.93 127.16 42.83 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.196 0.998 . . . . 0.0 112.24 -174.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -91.44 165.79 13.21 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.748 1.219 . . . . 0.0 113.906 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.39 -17.11 64.59 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -84.37 4.81 29.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.002 1.321 . . . . 0.0 113.2 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 60.14 27.28 16.73 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.574 1.95 . . . . 0.0 114.081 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -82.85 153.52 25.11 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.915 -1.115 . . . . 0.0 110.688 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -129.25 141.03 51.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.127 0.971 . . . . 0.0 112.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -128.14 149.06 50.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.318 1.847 . . . . 0.0 109.728 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.61 141.6 31.98 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.153 0.981 . . . . 0.0 113.035 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -140.66 100.27 6.76 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.541 . . . . 0.0 111.272 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.08 149.01 92.07 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.747 2.965 . . . . 0.0 113.374 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 3.91 90.55 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.688 1.613 . . . . 0.0 115.45 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.91 165.14 11.35 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.705 1.252 . . . . 0.0 113.627 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.63 157.38 45.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.327 2.251 . . . . 0.0 110.257 165.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 67.6 mt -71.48 114.69 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 -49.5 2.07 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.418 1.008 . . . . 0.0 113.71 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -148.92 150.49 33.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.659 1.184 . . . . 0.0 111.859 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -131.0 132.15 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.488 1.115 . . . . 0.0 110.329 166.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -108.78 99.86 9.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 108.871 163.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.89 -23.04 67.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.086 0.955 . . . . 0.0 112.654 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -55.22 -28.9 56.37 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.716 1.607 . . . . 0.0 113.462 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 t -133.62 10.07 3.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.625 1.97 . . . . 0.0 112.687 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.43 26.65 68.34 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 120.563 -1.336 . . . . 0.0 114.515 -177.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.8 t -81.69 118.72 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.534 1.667 . . . . 0.0 110.075 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -106.54 122.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.629 1.571 . . . . 0.0 109.095 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.5 t -106.47 122.97 47.36 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -95.73 147.49 23.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 111.45 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -130.08 159.37 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.108 1.763 . . . . 0.0 110.863 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.363 179.044 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 121.31 0.576 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -153.5 168.46 26.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.157 1.383 . . . . 0.0 111.676 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 173.43 11.54 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.252 1.421 . . . . 0.0 112.459 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.55 137.34 41.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.593 1.157 . . . . 0.0 110.87 162.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.74 140.46 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.278 1.031 . . . . 0.0 109.932 169.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -135.79 140.87 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.821 1.248 . . . . 0.0 110.809 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.468 0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 112.333 -174.25 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 121.018 0.437 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -140.21 134.8 31.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.792 1.637 . . . . 0.0 109.961 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.32 123.05 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.205 1.402 . . . . 0.0 109.57 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.17 169.18 34.53 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.169 0.89 . . . . 0.0 113.994 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 57.33 32.68 22.15 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.839 1.656 . . . . 0.0 114.775 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.62 125.35 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.918 1.687 . . . . 0.0 111.225 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.97 -27.29 17.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.317 1.047 . . . . 0.0 113.269 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -158.57 146.91 18.47 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.03 141.08 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.465 1.906 . . . . 0.0 110.779 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -138.89 127.33 23.0 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.636 1.174 . . . . 0.0 112.553 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.53 121.51 38.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.866 1.266 . . . . 0.0 110.593 173.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -106.15 12.39 30.26 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -165.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.33 29.78 63.63 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.273 0.939 . . . . 0.0 113.431 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.73 -19.34 0.05 OUTLIER Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.796 1.665 . . . . 0.0 113.883 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.31 41.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.18 1.792 . . . . 0.0 110.645 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.68 138.71 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.427 0.691 . . . . 0.0 110.894 164.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -112.11 145.53 39.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.857 2.063 . . . . 0.0 110.803 171.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -138.82 134.34 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.877 2.071 . . . . 0.0 109.205 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.4 m -133.96 129.48 36.31 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.824 1.193 . . . . 0.0 112.765 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -84.69 169.96 13.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.51 1.524 . . . . 0.0 113.401 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.24 -11.93 46.23 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.83 4.57 32.5 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.936 1.294 . . . . 0.0 112.934 170.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 60.58 18.53 8.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.126 2.17 . . . . 0.0 114.544 -172.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -79.86 116.66 20.14 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.387 -0.821 . . . . 0.0 110.643 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -86.6 141.06 29.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.493 0.717 . . . . 0.0 112.302 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -126.46 150.27 48.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.154 2.182 . . . . 0.0 109.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.52 142.34 29.11 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.36 0.664 . . . . 0.0 112.677 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -140.88 111.93 6.8 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.067 1.347 . . . . 0.0 111.093 -169.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -75.16 149.06 35.52 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.554 2.836 . . . . 0.0 112.93 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.18 8.74 87.37 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.994 1.283 . . . . 0.0 115.221 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -103.67 163.92 12.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.805 1.242 . . . . 0.0 113.17 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.71 161.45 37.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.234 2.213 . . . . 0.0 109.805 166.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.24 116.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.8 -41.87 4.28 Favored Glycine 0 N--CA 1.471 1.002 0 C-N-CA 124.606 1.098 . . . . 0.0 113.96 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -149.94 144.35 25.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.619 1.167 . . . . 0.0 111.522 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -128.17 121.57 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.015 1.726 . . . . 0.0 108.488 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -117.69 103.58 10.16 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.305 1.442 . . . . 0.0 109.557 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.43 -22.81 40.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.559 1.544 . . . . 0.0 112.438 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -54.23 7.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.334 1.054 . . . . 0.0 109.689 175.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -81.1 -17.85 48.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.77 46.01 25.61 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.68 1.133 . . . . 0.0 113.026 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.7 139.91 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.033 1.333 . . . . 0.0 111.29 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -126.57 128.16 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.974 1.71 . . . . 0.0 108.781 175.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.8 m -116.71 124.62 50.12 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.603 1.161 . . . . 0.0 110.68 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.04 150.32 21.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.968 0.907 . . . . 0.0 111.821 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.54 161.57 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.098 1.759 . . . . 0.0 111.209 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 . . . . . 0 N--CA 1.476 0.852 0 C-N-CA 123.638 0.775 . . . . 0.0 111.074 179.131 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.26 -179.31 3.74 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.272 . . . . 0.0 113.031 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -115.37 142.96 45.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.042 1.337 . . . . 0.0 111.186 159.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -101.22 145.15 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.467 1.507 . . . . 0.0 109.97 171.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.87 142.92 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.329 1.452 . . . . 0.0 111.468 170.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 CA--C 1.537 0.469 0 C-N-CA 125.682 1.593 . . . . 0.0 111.889 179.437 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -122.0 150.02 42.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.276 1.43 . . . . 0.0 111.327 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.7 mt -131.46 124.69 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.767 1.627 . . . . 0.0 108.314 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.78 170.1 27.65 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.709 1.147 . . . . 0.0 114.276 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 54.54 39.54 31.21 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.043 1.737 . . . . 0.0 114.053 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.4 119.91 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.581 1.552 . . . . 0.0 111.69 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.07 -34.1 26.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.826 1.251 . . . . 0.0 112.716 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -156.36 155.02 31.47 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -128.56 134.59 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 126.8 2.04 . . . . 0.0 108.862 174.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtm105 -134.78 122.72 22.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.537 1.535 . . . . 0.0 111.061 -168.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.67 32.9 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.182 0.993 . . . . 0.0 111.313 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -103.98 13.96 31.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 112.527 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.93 -32.55 1.96 Allowed Glycine 0 CA--C 1.54 1.654 0 C-N-CA 126.069 1.795 . . . . 0.0 115.017 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.26 6.07 11.96 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 126.38 1.943 . . . . 0.0 114.484 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.29 165.62 33.05 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.082 1.753 . . . . 0.0 111.746 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.0 t -127.17 144.32 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 124.575 1.15 . . . . 0.0 111.553 170.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -130.15 148.24 51.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.093 2.157 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.48 132.01 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.295 1.438 . . . . 0.0 110.271 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -115.44 127.57 55.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.466 1.107 . . . . 0.0 111.941 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -89.85 167.33 12.93 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.26 -28.98 30.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.954 2.102 . . . . 0.0 113.525 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.05 18.65 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.266 1.426 . . . . 0.0 113.781 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 62.28 13.9 6.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.772 2.029 . . . . 0.0 115.532 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -72.9 132.91 44.09 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -104.65 139.59 39.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.337 1.055 . . . . 0.0 111.828 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -117.37 150.86 38.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.751 1.621 . . . . 0.0 109.917 168.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.28 140.91 28.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.041 0.936 . . . . 0.0 112.484 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -142.89 100.6 5.44 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.928 1.291 . . . . 0.0 111.066 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.47 146.27 67.64 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.338 2.026 . . . . 0.0 111.469 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.91 10.84 85.2 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.741 1.162 . . . . 0.0 115.099 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -106.26 165.39 11.28 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.978 1.389 . . . . 0.0 112.673 172.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.03 159.5 42.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.203 2.201 . . . . 0.0 110.802 167.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 59.9 mt -77.08 119.13 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.971 0.908 . . . . 0.0 109.134 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.36 -43.27 2.21 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.388 0.994 . . . . 0.0 115.208 -174.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -142.19 145.61 34.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.003 1.321 . . . . 0.0 111.583 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.24 106.54 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.74 2.016 . . . . 0.0 109.07 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -100.84 77.73 1.89 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.588 1.555 . . . . 0.0 109.895 174.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -31.86 67.53 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.251 1.02 . . . . 0.0 111.741 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.9 -43.08 65.92 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.993 1.717 . . . . 0.0 112.59 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 -23.65 15.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.588 1.555 . . . . 0.0 113.323 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.12 43.12 14.18 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.625 1.107 . . . . 0.0 112.873 -170.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.48 136.76 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.601 1.16 . . . . 0.0 111.08 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -130.63 133.75 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.842 1.657 . . . . 0.0 109.346 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -120.78 127.38 51.9 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.495 1.118 . . . . 0.0 111.937 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.92 153.39 18.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.387 1.075 . . . . 0.0 112.396 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.78 160.18 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.136 1.774 . . . . 0.0 111.418 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 124.219 1.008 . . . . 0.0 111.833 179.603 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 120.881 0.372 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -153.89 138.43 16.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.329 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 175.55 6.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.854 1.262 . . . . 0.0 112.5 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -110.63 146.13 36.7 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.001 0.92 . . . . 0.0 111.264 153.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.43 141.66 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.141 1.376 . . . . 0.0 110.434 174.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -131.46 137.22 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.512 1.125 . . . . 0.0 112.002 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 126.002 1.721 . . . . 0.0 111.666 -175.736 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 121.237 0.541 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -139.42 131.51 28.0 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.434 1.493 . . . . 0.0 110.068 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.96 120.46 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.969 1.307 . . . . 0.0 109.174 -172.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.73 170.27 32.04 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.25 0.929 . . . . 0.0 114.259 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 55.09 37.05 28.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.476 1.91 . . . . 0.0 114.409 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.61 122.48 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.34 -38.01 19.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.482 0.713 . . . . 0.0 112.426 172.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -147.78 154.14 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -138.88 139.28 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 126.507 1.923 . . . . 0.0 108.956 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -137.57 140.52 41.06 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.857 1.263 . . . . 0.0 110.879 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.64 122.31 41.69 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.99 0.916 . . . . 0.0 109.898 163.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -97.47 13.86 28.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.664 1.586 . . . . 0.0 113.661 -170.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.23 39.28 37.15 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.977 1.275 . . . . 0.0 113.772 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.29 -21.31 0.12 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.784 1.659 . . . . 0.0 114.022 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.61 157.6 35.57 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.213 2.205 . . . . 0.0 109.856 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -96.88 156.93 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 166.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -132.46 134.98 45.74 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.566 1.946 . . . . 0.0 109.851 170.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -128.74 132.23 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 127.47 2.308 . . . . 0.0 109.638 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.7 m -128.37 129.44 46.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.823 0.849 . . . . 0.0 112.522 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.9 p -87.88 169.83 11.69 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.389 1.476 . . . . 0.0 114.17 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.0 tp -52.56 -29.0 23.25 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.496 2.318 . . . . 0.0 114.221 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.39 17.6 23.72 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 113.268 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 61.2 13.93 5.16 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.919 2.088 . . . . 0.0 115.491 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.73 145.51 48.75 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.699 -1.251 . . . . 0.0 110.51 165.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -125.78 144.44 50.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.881 1.272 . . . . 0.0 112.583 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -131.31 149.42 52.57 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.019 1.728 . . . . 0.0 110.198 172.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.46 144.58 26.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.979 0.912 . . . . 0.0 112.534 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.71 113.48 4.66 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.494 -169.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -62.99 149.27 92.09 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.663 2.909 . . . . 0.0 113.645 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.44 19.24 79.64 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.504 0.962 . . . . 0.0 115.504 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.67 159.71 20.19 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.024 1.33 . . . . 0.0 112.788 174.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.7 160.13 40.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.686 1.994 . . . . 0.0 110.543 170.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -76.7 117.15 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.593 -0.692 . . . . 0.0 109.399 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.47 -42.38 3.96 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.35 0.976 . . . . 0.0 113.912 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -146.21 153.8 41.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.051 1.34 . . . . 0.0 112.096 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.1 136.0 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.638 1.575 . . . . 0.0 109.787 167.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -136.1 108.41 7.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.325 1.85 . . . . 0.0 108.696 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.89 -26.83 43.87 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.791 1.636 . . . . 0.0 111.926 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -65.09 -48.75 72.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.3 1.84 . . . . 0.0 111.085 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -89.7 -19.01 25.33 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.22 15.3 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.088 1.327 . . . . 0.0 113.514 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -131.25 140.7 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -122.61 127.5 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 126.347 1.859 . . . . 0.0 109.107 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.9 m -105.96 131.25 53.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.189 0.996 . . . . 0.0 110.812 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -99.98 154.42 18.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.678 0.791 . . . . 0.0 112.364 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 pp -134.96 159.63 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.037 1.735 . . . . 0.0 111.311 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 123.886 0.875 . . . . 0.0 112.219 -177.745 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.4 0.143 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.07 -178.74 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.376 1.471 . . . . 0.0 111.769 -173.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -118.14 147.12 43.63 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.105 0.962 . . . . 0.0 112.458 163.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.7 t -93.39 145.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.694 1.198 . . . . 0.0 110.193 171.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.7 136.49 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.102 1.361 . . . . 0.0 112.158 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.549 0.919 0 C-N-CA 126.574 1.949 . . . . 0.0 110.905 177.324 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.24 143.29 46.25 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.407 1.083 . . . . 0.0 111.18 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.49 115.86 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.961 1.305 . . . . 0.0 108.446 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.9 170.37 37.89 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.834 1.207 . . . . 0.0 114.612 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 57.85 33.07 22.79 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 114.478 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -77.46 128.1 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.184 1.794 . . . . 0.0 110.906 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 42.7 mt -91.15 -30.95 16.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.892 0.877 . . . . 0.0 113.194 172.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -156.31 152.76 28.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.49 139.11 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.828 2.051 . . . . 0.0 109.278 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -136.22 135.05 38.75 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.892 1.277 . . . . 0.0 110.947 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.64 114.7 26.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.376 1.47 . . . . 0.0 110.387 171.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -76.39 179.74 5.65 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.927 1.291 . . . . 0.0 110.396 164.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -11.43 48.81 Favored Glycine 0 CA--C 1.544 1.851 0 O-C-N 120.289 -1.507 . . . . 0.0 115.884 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.12 22.14 0.26 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.799 1.19 . . . . 0.0 115.276 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.48 30.33 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.128 1.464 . . . . 0.0 111.852 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -107.06 143.82 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.344 1.057 . . . . 0.0 111.066 166.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -123.31 140.92 52.53 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.651 1.98 . . . . 0.0 110.172 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 67.7 t -133.1 131.54 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.941 2.096 . . . . 0.0 109.453 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -129.7 129.4 44.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.795 0.838 . . . . 0.0 112.643 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 p -96.36 167.91 10.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.425 1.49 . . . . 0.0 112.531 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -66.85 -10.45 48.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.67 2.23 30.55 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.149 1.379 . . . . 0.0 113.231 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t0 60.79 22.46 12.46 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.067 2.147 . . . . 0.0 113.848 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -82.64 137.64 34.42 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.273 1.029 . . . . 0.0 110.504 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -109.12 137.85 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.611 1.164 . . . . 0.0 111.563 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -119.16 147.86 43.73 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.382 1.873 . . . . 0.0 109.714 167.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.0 144.86 31.86 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.44 108.29 6.67 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.898 1.279 . . . . 0.0 111.141 -170.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.22 148.78 56.47 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.933 2.422 . . . . 0.0 112.213 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.81 89.76 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.222 1.392 . . . . 0.0 114.985 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 mt -106.59 164.23 12.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.803 1.241 . . . . 0.0 112.95 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.16 166.04 25.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.32 2.248 . . . . 0.0 110.146 165.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mt -74.31 123.99 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.463 -0.773 . . . . 0.0 109.268 174.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.22 -38.17 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.108 0.861 . . . . 0.0 113.983 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -144.65 152.7 40.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.753 1.221 . . . . 0.0 112.698 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -133.36 133.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.579 1.952 . . . . 0.0 108.444 169.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -141.28 106.97 5.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.029 175.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.73 -14.96 50.35 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.588 1.155 . . . . 0.0 113.644 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -76.13 -40.47 52.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.0 0.92 . . . . 0.0 111.048 170.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -77.77 -34.07 52.49 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.76 171.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.92 36.84 20.93 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.502 1.525 . . . . 0.0 112.952 -173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.85 142.28 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.24 1.416 . . . . 0.0 112.262 -168.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.1 mt -125.11 117.38 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.064 1.746 . . . . 0.0 108.806 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.9 m -96.48 130.73 43.57 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.363 1.065 . . . . 0.0 111.32 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.22 155.63 16.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.746 0.818 . . . . 0.0 112.013 173.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.9 164.58 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.835 2.054 . . . . 0.0 111.369 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 124.543 1.137 . . . . 0.0 110.94 177.828 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.2 ptm -149.11 155.67 41.05 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.775 -1.203 . . . . 0.0 111.377 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.54 -179.39 6.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.683 1.193 . . . . 0.0 112.519 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -121.94 143.6 49.36 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.033 1.333 . . . . 0.0 111.473 166.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.0 t -96.72 144.78 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.772 1.229 . . . . 0.0 110.833 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.18 129.54 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.099 2.16 . . . . 0.0 109.909 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 124.826 1.251 . . . . 0.0 111.765 175.798 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -139.62 147.02 40.49 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 111.919 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -128.18 122.84 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.293 1.437 . . . . 0.0 108.701 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.58 167.48 33.81 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.542 1.068 . . . . 0.0 113.764 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 55.17 37.43 28.89 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.415 1.486 . . . . 0.0 114.397 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -74.87 130.39 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.873 1.669 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.9 mt -103.09 -24.8 13.59 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.755 1.222 . . . . 0.0 113.92 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.19 149.64 24.67 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.136 0.88 . . . . 0.0 113.234 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.08 142.71 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.912 2.085 . . . . 0.0 109.292 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -140.14 148.56 41.83 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 111.008 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.83 118.49 28.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.203 1.001 . . . . 0.0 111.289 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -88.21 171.44 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.895 1.678 . . . . 0.0 110.878 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.26 42.58 0.81 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.098 1.332 . . . . 0.0 114.838 174.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.17 -9.51 0.06 OUTLIER Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.104 1.335 . . . . 0.0 116.102 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.64 150.95 19.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.044 1.922 . . . . 0.0 112.921 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -97.15 145.83 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.876 0.87 . . . . 0.0 110.571 166.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -126.8 147.54 50.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.357 1.863 . . . . 0.0 111.006 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.05 133.15 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.853 1.661 . . . . 0.0 109.445 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.2 m -131.69 131.63 43.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 0.0 112.576 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -90.93 169.4 10.93 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.988 1.315 . . . . 0.0 113.924 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.51 -22.63 13.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.539 2.336 . . . . 0.0 113.48 168.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -106.37 18.17 22.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.222 1.409 . . . . 0.0 113.086 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 61.58 18.34 9.41 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.026 2.13 . . . . 0.0 115.009 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.11 132.73 41.45 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.974 -1.079 . . . . 0.0 109.732 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -113.46 141.97 46.47 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.936 0.894 . . . . 0.0 112.179 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -131.39 148.82 52.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.157 1.783 . . . . 0.0 110.143 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.7 142.26 36.9 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.028 0.931 . . . . 0.0 113.0 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.98 98.91 6.75 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.702 1.601 . . . . 0.0 112.169 -170.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.46 149.95 87.32 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.701 2.934 . . . . 0.0 114.435 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 6.87 86.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.827 1.203 . . . . 0.0 115.948 171.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 mt -103.6 166.92 10.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.084 1.354 . . . . 0.0 112.183 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.75 161.85 36.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.095 1.758 . . . . 0.0 110.389 160.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.35 110.8 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.74 -49.65 4.49 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.767 1.175 . . . . 0.0 113.168 -173.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -148.55 138.0 21.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.674 1.189 . . . . 0.0 111.692 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.11 136.71 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.42 1.488 . . . . 0.0 109.711 164.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -136.43 110.15 8.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.999 1.72 . . . . 0.0 109.466 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.99 -10.82 52.23 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.63 1.172 . . . . 0.0 113.513 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -44.7 31.44 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 167.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -76.12 -28.83 57.62 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.408 1.083 . . . . 0.0 113.203 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 37.44 49.56 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.447 1.022 . . . . 0.0 112.917 -172.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.79 140.19 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.963 1.305 . . . . 0.0 111.938 -170.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.58 106.06 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.858 1.663 . . . . 0.0 109.634 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 t -90.24 125.09 35.37 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 111.258 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -94.12 150.22 20.52 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.849 1.26 . . . . 0.0 111.011 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.89 156.42 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.472 1.509 . . . . 0.0 110.841 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 124.445 1.098 . . . . 0.0 110.571 -179.492 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.2 -178.59 4.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.735 1.214 . . . . 0.0 112.528 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -119.68 134.09 55.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.366 1.066 . . . . 0.0 111.61 165.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.09 138.83 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.919 1.288 . . . . 0.0 110.174 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.47 142.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.369 1.068 . . . . 0.0 112.342 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 127.13 2.172 . . . . 0.0 110.627 -179.506 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -140.68 140.25 34.92 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.739 -173.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.13 120.07 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.827 1.651 . . . . 0.0 109.081 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.74 170.39 40.06 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.897 0.761 . . . . 0.0 114.113 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 58.12 31.99 21.43 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.868 1.667 . . . . 0.0 114.193 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.98 124.67 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 111.663 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -95.3 -38.94 10.3 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.391 1.476 . . . . 0.0 111.643 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -148.23 154.66 40.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.296 1.038 . . . . 0.0 112.914 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -139.62 136.48 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.063 1.345 . . . . 0.0 109.177 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -118.78 146.34 44.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.025 1.73 . . . . 0.0 111.6 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.86 114.77 28.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.509 1.124 . . . . 0.0 109.714 161.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -82.48 -177.35 6.65 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 0.0 110.977 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -10.07 36.14 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.51 20.14 0.17 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 118.559 1.179 . . . . 0.0 115.67 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.39 155.71 27.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.115 1.457 . . . . 0.0 112.226 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -99.41 142.45 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.284 1.033 . . . . 0.0 110.511 165.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -125.57 137.12 53.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.245 1.818 . . . . 0.0 110.917 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.3 132.89 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.457 1.903 . . . . 0.0 109.458 -172.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -134.08 129.21 35.66 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.477 0.711 . . . . 0.0 112.184 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.0 p -81.32 164.55 22.1 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.949 1.299 . . . . 0.0 112.872 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -67.02 -14.86 63.31 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -83.96 3.93 32.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.544 1.537 . . . . 0.0 113.755 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t0 62.12 28.72 17.3 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.495 1.918 . . . . 0.0 114.667 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -85.3 141.5 30.02 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.27 -0.894 . . . . 0.0 110.332 166.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -123.21 142.32 51.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.777 1.231 . . . . 0.0 113.183 -173.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -133.09 149.76 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.352 1.861 . . . . 0.0 110.09 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.34 145.38 33.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.739 0.815 . . . . 0.0 113.134 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -142.61 105.76 5.43 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.347 1.459 . . . . 0.0 111.578 -170.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.7 148.63 59.41 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.275 2.65 . . . . 0.0 112.695 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 -4.71 56.19 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.34 1.448 . . . . 0.0 115.574 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.2 mt -88.19 164.83 15.46 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.903 1.351 . . . . 0.0 112.418 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 158.99 43.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.408 2.283 . . . . 0.0 109.925 164.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 54.4 mt -73.05 113.69 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.52 -37.93 6.82 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.532 1.063 . . . . 0.0 113.775 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -145.02 148.63 33.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.426 1.49 . . . . 0.0 112.287 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.98 105.25 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 127.035 2.134 . . . . 0.0 107.436 168.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -108.6 88.29 2.69 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.507 1.523 . . . . 0.0 110.797 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.56 HD22 ' H ' ' B' ' 53' ' ' LEU . 1.3 mm? -63.36 -34.16 77.12 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.622 0.769 . . . . 0.0 111.081 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.31 -36.78 66.57 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.181 1.792 . . . . 0.0 113.563 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 27.9 m -101.91 -18.61 15.62 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.94 33.52 62.67 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.079 0.847 . . . . 0.0 113.18 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -131.08 141.99 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.04 1.336 . . . . 0.0 111.577 -171.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.5 mt -124.35 135.47 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.68 1.592 . . . . 0.0 108.396 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -125.6 128.9 48.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.054 0.942 . . . . 0.0 111.11 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.74 153.51 18.67 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.864 0.866 . . . . 0.0 112.594 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -137.09 161.87 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.558 1.943 . . . . 0.0 110.542 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 . . . . . 0 N--CA 1.475 0.8 0 O-C-N 121.598 -0.689 . . . . 0.0 110.245 175.508 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.2 m . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.6 mtp -136.58 149.21 47.94 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.724 1.61 . . . . 0.0 110.801 171.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.77 173.54 13.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.772 1.229 . . . . 0.0 111.517 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -111.71 144.9 40.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.149 0.98 . . . . 0.0 111.742 163.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.64 142.74 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.329 1.052 . . . . 0.0 109.284 165.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.42 139.46 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.881 1.273 . . . . 0.0 110.842 170.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.652 0 C-N-CA 125.671 1.588 . . . . 0.0 111.564 -174.82 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -140.54 149.74 42.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.166 0.986 . . . . 0.0 112.478 172.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.94 120.38 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.793 1.637 . . . . 0.0 108.376 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 173.04 40.96 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.68 1.133 . . . . 0.0 113.969 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 57.99 34.03 23.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.592 1.557 . . . . 0.0 113.964 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -76.14 131.96 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.291 1.437 . . . . 0.0 110.655 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.1 mt -101.19 -21.12 15.01 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.209 1.004 . . . . 0.0 113.423 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -160.84 151.81 18.7 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.65 1.113 . . . . 0.0 113.619 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.22 133.26 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.542 1.937 . . . . 0.0 109.403 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -131.71 123.94 28.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 110.935 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.45 137.58 32.23 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.614 0.721 . . . . 0.0 111.37 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -112.95 11.45 19.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.481 1.913 . . . . 0.0 112.09 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.25 -60.54 2.3 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 126.656 2.074 . . . . 0.0 112.83 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -6.29 79.28 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.802 1.192 . . . . 0.0 114.527 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.09 166.19 26.14 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.902 1.681 . . . . 0.0 112.345 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.0 t -121.76 142.91 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.056 1.342 . . . . 0.0 110.851 162.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -120.86 147.46 45.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.888 2.075 . . . . 0.0 110.884 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -139.65 135.4 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.241 1.817 . . . . 0.0 109.369 -170.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.3 m -131.86 132.75 43.94 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.882 0.764 . . . . 0.0 112.238 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -91.18 167.17 12.53 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.93 -27.73 45.6 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.108 2.163 . . . . 0.0 113.359 168.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.77 19.63 16.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.54 1.536 . . . . 0.0 113.547 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.4 t0 61.64 25.0 15.0 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.922 2.089 . . . . 0.0 115.373 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -83.81 129.0 34.94 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.853 -1.154 . . . . 0.0 110.192 167.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -104.04 139.82 38.61 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.091 0.956 . . . . 0.0 111.281 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -129.47 148.26 51.36 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.075 1.75 . . . . 0.0 109.748 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.36 140.87 32.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.709 0.804 . . . . 0.0 111.763 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -139.18 112.31 8.0 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.039 1.336 . . . . 0.0 110.763 -171.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -73.22 149.5 45.85 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.949 2.433 . . . . 0.0 112.499 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.21 86.2 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.03 1.3 . . . . 0.0 115.057 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -105.72 163.12 12.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.666 1.233 . . . . 0.0 113.165 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.6 162.05 36.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.219 2.208 . . . . 0.0 110.328 167.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mt -78.65 122.19 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 120.892 -1.13 . . . . 0.0 110.05 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -110.54 -29.07 3.77 Favored Glycine 0 N--CA 1.477 1.393 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.57 144.67 31.42 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.754 1.222 . . . . 0.0 111.603 179.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.9 t -140.86 131.8 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.602 1.561 . . . . 0.0 108.909 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -147.76 105.04 3.65 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.743 1.217 . . . . 0.0 110.475 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.35 -26.81 38.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.446 1.498 . . . . 0.0 112.179 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -63.37 -47.13 83.36 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.518 1.527 . . . . 0.0 110.708 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 m -87.41 -20.19 27.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 174.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.56 43.69 18.42 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.282 0.944 . . . . 0.0 113.861 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.8 t -134.78 139.86 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.054 1.341 . . . . 0.0 111.588 -173.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.26 126.12 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.558 1.943 . . . . 0.0 108.88 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -113.49 129.25 56.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.301 1.04 . . . . 0.0 111.567 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -97.79 152.61 18.97 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.169 0.987 . . . . 0.0 112.15 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.24 158.61 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.874 2.07 . . . . 0.0 111.059 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 N--CA 1.47 0.532 0 C-N-CA 123.499 0.719 . . . . 0.0 111.008 178.91 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 121.208 0.528 . . . . 0.0 111.861 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.88 176.12 8.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.099 1.76 . . . . 0.0 113.113 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -128.22 144.66 51.14 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.903 1.681 . . . . 0.0 111.056 165.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -108.74 143.08 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.395 1.478 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -127.23 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.019 1.328 . . . . 0.0 111.715 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.413 1.885 . . . . 0.0 111.746 -176.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.94 0.4 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -134.93 143.55 46.97 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.119 1.368 . . . . 0.0 111.058 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -132.62 120.79 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.214 1.406 . . . . 0.0 108.98 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.7 30.35 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.883 1.23 . . . . 0.0 114.378 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 55.79 33.96 22.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.187 1.795 . . . . 0.0 114.33 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.84 130.99 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.964 1.706 . . . . 0.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -97.12 -27.77 14.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.75 152.27 29.68 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.8 t -137.87 135.48 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.526 1.93 . . . . 0.0 109.869 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -135.07 104.7 6.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.171 1.388 . . . . 0.0 110.623 -165.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 119.43 30.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.794 0.838 . . . . 0.0 112.015 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -102.67 5.05 38.83 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.257 1.823 . . . . 0.0 113.42 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.96 -45.83 1.71 Allowed Glycine 0 CA--C 1.538 1.497 0 C-N-CA 126.583 2.04 . . . . 0.0 114.57 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.25 -17.84 78.97 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.321 0.962 . . . . 0.0 114.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.24 165.81 26.3 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.914 1.686 . . . . 0.0 112.086 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -113.66 140.56 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.471 1.108 . . . . 0.0 110.581 160.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -116.29 143.82 45.04 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.498 1.919 . . . . 0.0 110.153 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -134.41 137.93 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 109.647 -171.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.9 m -133.57 129.41 36.98 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.015 0.825 . . . . 0.0 112.626 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -85.72 167.32 15.38 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.474 1.109 . . . . 0.0 113.505 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.02 -27.66 63.74 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.941 1.697 . . . . 0.0 112.807 170.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -88.22 11.9 15.23 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.814 1.645 . . . . 0.0 113.549 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 60.84 21.64 11.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.255 2.222 . . . . 0.0 114.912 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.69 127.02 31.99 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.807 -1.183 . . . . 0.0 110.138 169.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -99.51 139.49 35.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.891 0.876 . . . . 0.0 112.301 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -125.74 149.74 48.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.177 1.791 . . . . 0.0 109.786 171.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.85 140.63 29.9 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.55 0.74 . . . . 0.0 112.63 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.29 111.42 6.5 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.745 1.218 . . . . 0.0 111.106 -170.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.53 149.49 55.83 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.099 2.533 . . . . 0.0 112.898 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.93 7.07 86.39 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.589 1.566 . . . . 0.0 115.439 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.15 165.91 11.49 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.08 1.44 . . . . 0.0 113.853 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.28 166.29 25.94 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.488 2.315 . . . . 0.0 110.239 163.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -76.61 126.75 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.431 -0.793 . . . . 0.0 109.984 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.42 -53.23 1.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.392 1.472 . . . . 0.0 113.664 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -143.75 149.84 37.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.612 1.165 . . . . 0.0 111.94 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -137.35 104.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.318 1.447 . . . . 0.0 109.164 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -97.59 105.83 18.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.357 1.063 . . . . 0.0 110.073 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.429 HD22 ' H ' ' B' ' 53' ' ' LEU . 1.6 mm? -71.85 -26.24 62.29 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.812 -1.18 . . . . 0.0 110.715 167.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -57.9 -26.49 62.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.739 2.016 . . . . 0.0 113.809 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 97.4 p -135.75 -7.83 2.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.06 1.344 . . . . 0.0 114.573 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.94 7.94 86.61 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.26 1.41 . . . . 0.0 114.965 -174.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.27 129.38 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.045 1.922 . . . . 0.0 112.111 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.3 mt -116.22 133.64 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.338 1.855 . . . . 0.0 109.094 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 86.3 p -112.13 143.48 43.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -107.69 152.6 24.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.351 1.061 . . . . 0.0 111.557 170.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.99 158.55 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.187 1.795 . . . . 0.0 111.057 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 179.278 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.04 157.46 43.62 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.154 1.382 . . . . 0.0 110.774 171.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.69 -176.15 3.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 -171.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -126.57 141.42 51.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 111.715 165.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.3 144.2 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.181 0.992 . . . . 0.0 109.778 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -135.46 138.25 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.173 1.389 . . . . 0.0 112.386 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 126.915 2.086 . . . . 0.0 110.453 177.651 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -136.85 146.73 45.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.763 1.225 . . . . 0.0 111.811 -175.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.4 mt -131.12 122.25 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.213 1.405 . . . . 0.0 108.856 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.03 166.61 29.95 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.762 1.172 . . . . 0.0 114.049 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.8 35.96 22.83 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.442 1.897 . . . . 0.0 113.859 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.03 126.25 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.168 1.387 . . . . 0.0 110.746 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -107.38 -22.33 12.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.557 1.143 . . . . 0.0 112.821 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -154.21 148.23 25.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.521 1.128 . . . . 0.0 113.454 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.72 137.78 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.224 1.81 . . . . 0.0 109.976 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -138.21 138.84 38.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.656 1.182 . . . . 0.0 112.001 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.76 120.4 35.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 110.772 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -89.81 -179.31 5.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.764 1.625 . . . . 0.0 110.516 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 79.65 0.26 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.584 1.087 . . . . 0.0 112.913 172.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.13 25.89 30.16 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.107 1.337 . . . . 0.0 114.83 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.43 160.41 43.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.673 1.589 . . . . 0.0 111.665 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.47 144.0 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 124.387 1.075 . . . . 0.0 111.061 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -121.34 141.74 50.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.231 1.812 . . . . 0.0 111.138 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.6 t -135.33 132.21 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.951 2.1 . . . . 0.0 109.776 -173.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.0 m -134.81 133.22 39.57 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.244 0.545 . . . . 0.0 111.768 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.4 p -85.9 165.39 16.82 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 113.645 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.38 -20.02 26.76 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.452 1.901 . . . . 0.0 113.419 169.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -107.6 24.04 13.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.757 1.623 . . . . 0.0 112.955 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 63.21 17.23 10.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.897 2.079 . . . . 0.0 115.895 172.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.96 133.65 36.87 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.588 -1.32 . . . . 0.0 110.312 168.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -115.15 140.8 48.77 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.434 1.093 . . . . 0.0 112.168 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -132.43 147.51 52.38 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.64 1.976 . . . . 0.0 109.879 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.06 144.68 36.97 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.592 0.757 . . . . 0.0 112.499 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -140.31 92.68 9.28 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.775 1.63 . . . . 0.0 111.266 -171.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.04 146.29 94.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.106 2.538 . . . . 0.0 112.768 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.51 4.16 90.46 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.325 1.441 . . . . 0.0 114.705 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.37 166.42 10.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.633 1.217 . . . . 0.0 112.431 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 160.76 39.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.183 2.193 . . . . 0.0 110.331 165.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -72.42 115.45 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.36 -0.838 . . . . 0.0 108.744 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.0 -45.14 3.16 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.508 1.051 . . . . 0.0 113.894 -175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -142.9 149.87 39.04 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.657 1.183 . . . . 0.0 111.635 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.26 126.0 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 126.584 1.953 . . . . 0.0 108.314 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -136.94 100.7 4.36 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.219 1.008 . . . . 0.0 110.523 -173.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.648 1.179 . . . . 0.0 112.678 -174.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -72.2 -41.3 67.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.166 1.386 . . . . 0.0 111.842 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.3 t -80.41 -30.8 37.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.479 1.112 . . . . 0.0 112.485 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 31.72 42.93 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.152 1.358 . . . . 0.0 113.041 -171.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.4 t -129.96 143.43 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.865 1.266 . . . . 0.0 111.807 -168.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -122.32 119.75 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.209 1.803 . . . . 0.0 109.022 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -97.98 129.89 44.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.128 0.971 . . . . 0.0 110.792 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.0 mt -98.59 151.52 20.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.808 0.843 . . . . 0.0 111.694 172.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.7 159.12 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.751 1.62 . . . . 0.0 111.31 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.292 1.437 . . . . 0.0 111.388 -177.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.13 -179.73 6.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.158 1.383 . . . . 0.0 112.053 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -118.37 147.37 43.6 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.426 1.09 . . . . 0.0 112.091 161.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -97.17 143.38 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.052 1.341 . . . . 0.0 110.359 170.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.74 137.76 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.483 1.513 . . . . 0.0 111.398 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 126.289 1.836 . . . . 0.0 110.985 177.76 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -134.91 144.52 47.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.757 1.223 . . . . 0.0 111.42 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -129.0 119.32 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.452 1.501 . . . . 0.0 108.07 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.64 171.31 37.77 Favored Glycine 0 N--CA 1.472 1.066 0 C-N-CA 124.361 0.981 . . . . 0.0 113.585 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 57.16 31.8 20.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.239 1.416 . . . . 0.0 114.195 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.36 127.17 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.164 1.786 . . . . 0.0 110.762 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tt -97.28 -35.3 10.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.365 1.466 . . . . 0.0 112.345 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -153.76 156.02 36.97 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -136.85 139.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.983 2.113 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -139.98 135.26 32.55 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.033 0.933 . . . . 0.0 111.963 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.81 139.74 30.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.523 1.129 . . . . 0.0 110.885 168.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -112.31 11.55 20.11 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.826 1.65 . . . . 0.0 113.526 -175.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.11 36.86 72.36 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.97 1.271 . . . . 0.0 113.117 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.95 -12.93 0.1 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.325 1.441 . . . . 0.0 114.043 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.68 162.06 41.75 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.657 1.983 . . . . 0.0 110.828 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -114.03 138.83 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.407 1.083 . . . . 0.0 110.942 167.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.71 144.02 42.93 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.14 2.176 . . . . 0.0 110.603 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 62.7 t -135.61 127.13 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.942 1.697 . . . . 0.0 109.313 -174.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.0 m -128.76 129.04 45.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.302 1.041 . . . . 0.0 111.481 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.1 p -86.21 164.06 17.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.845 1.258 . . . . 0.0 112.752 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -69.48 -10.7 59.2 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 171.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -85.94 7.21 25.15 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.611 1.564 . . . . 0.0 112.709 168.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.309 1.9 p30 58.46 13.85 2.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 129.139 2.976 . . . . 0.0 116.099 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -70.1 141.56 52.72 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.105 -0.997 . . . . 0.0 110.682 164.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -129.88 144.88 51.54 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.916 1.286 . . . . 0.0 112.077 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -132.77 150.33 52.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.742 2.017 . . . . 0.0 109.596 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.1 144.02 33.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.639 0.776 . . . . 0.0 112.678 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.01 110.07 8.47 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.223 1.409 . . . . 0.0 110.967 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -72.12 147.82 49.18 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.022 2.481 . . . . 0.0 112.111 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.85 3.48 90.49 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.842 1.21 . . . . 0.0 114.857 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -98.06 164.52 12.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.522 1.161 . . . . 0.0 113.042 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.69 159.75 41.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.416 2.286 . . . . 0.0 110.17 165.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.89 114.2 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.05 -42.68 3.47 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.252 0.93 . . . . 0.0 114.249 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -146.33 145.26 30.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.784 1.234 . . . . 0.0 112.116 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -136.07 114.18 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.59 1.556 . . . . 0.0 109.1 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.38 93.33 4.24 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.369 1.468 . . . . 0.0 109.775 -173.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.99 -34.61 73.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.623 -0.673 . . . . 0.0 112.423 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.44 -45.18 94.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.314 1.045 . . . . 0.0 112.324 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 m -81.96 -25.51 34.76 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.644 1.178 . . . . 0.0 113.635 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.57 39.8 55.36 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.388 0.994 . . . . 0.0 113.283 -171.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.13 138.43 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.471 1.108 . . . . 0.0 111.837 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.32 119.79 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.058 1.743 . . . . 0.0 108.736 174.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.7 m -102.19 127.28 49.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.294 1.037 . . . . 0.0 111.211 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 mt -97.43 151.37 20.04 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.853 0.861 . . . . 0.0 111.451 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.58 160.04 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.048 1.739 . . . . 0.0 110.986 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 . . . . . 0 N--CA 1.475 0.811 0 C-N-CA 123.823 0.849 . . . . 0.0 111.473 178.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 120.759 0.314 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 ptm -151.98 156.57 40.28 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.988 1.715 . . . . 0.0 111.197 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.94 -176.12 4.26 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 112.373 -172.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -124.47 148.36 47.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.351 1.06 . . . . 0.0 112.028 163.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.72 143.7 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.358 1.063 . . . . 0.0 110.427 171.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.63 138.27 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.479 1.511 . . . . 0.0 111.638 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 126.417 1.887 . . . . 0.0 111.219 177.235 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -133.42 143.84 49.14 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.429 1.092 . . . . 0.0 111.666 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -122.68 118.93 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.355 1.462 . . . . 0.0 108.471 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 167.54 36.3 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.566 1.079 . . . . 0.0 114.391 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.26 34.42 20.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.087 1.755 . . . . 0.0 114.498 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.75 126.02 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 110.202 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 tp -107.16 -27.33 10.64 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.647 1.179 . . . . 0.0 112.767 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -155.1 158.27 38.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.332 1.053 . . . . 0.0 112.806 167.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.38 142.4 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.481 1.913 . . . . 0.0 110.341 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -124.15 152.48 42.77 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.72 2.008 . . . . 0.0 112.156 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.61 139.58 50.35 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.124 1.37 . . . . 0.0 110.659 162.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -113.65 12.9 18.55 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.657 1.583 . . . . 0.0 112.293 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.64 -34.43 2.94 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 126.482 1.992 . . . . 0.0 115.054 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.1 -0.96 22.45 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.473 1.511 . . . . 0.0 114.664 171.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.7 168.86 26.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.754 1.622 . . . . 0.0 111.674 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m -123.28 159.39 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.028 0.931 . . . . 0.0 112.52 162.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -135.11 134.19 40.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.564 1.946 . . . . 0.0 110.234 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -122.86 130.13 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.609 1.964 . . . . 0.0 109.862 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -126.0 128.5 47.56 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.912 0.885 . . . . 0.0 111.335 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -87.39 165.67 15.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 122.171 0.986 . . . . 0.0 113.076 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.23 -20.78 44.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.77 2.028 . . . . 0.0 113.506 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.34 22.11 16.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.08 1.752 . . . . 0.0 113.214 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.82 19.79 11.73 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.999 2.12 . . . . 0.0 115.549 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.88 141.01 40.76 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.019 -1.051 . . . . 0.0 110.193 166.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -124.4 135.78 53.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.517 1.127 . . . . 0.0 111.294 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -129.15 142.89 50.74 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.817 1.647 . . . . 0.0 109.812 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.17 44.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.793 0.837 . . . . 0.0 112.525 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.85 93.25 8.44 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.41 1.084 . . . . 0.0 111.244 -173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.03 143.16 94.71 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.351 2.701 . . . . 0.0 111.894 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.1 1.58 90.04 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.44 164.09 11.94 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.37 1.085 . . . . 0.0 111.646 167.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.07 157.67 45.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.748 2.019 . . . . 0.0 111.152 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.73 107.35 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.45 -42.93 5.05 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.08 0.848 . . . . 0.0 113.763 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -146.87 149.65 33.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.52 1.528 . . . . 0.0 111.45 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -132.78 128.68 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.712 2.005 . . . . 0.0 108.425 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -129.69 110.08 11.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.787 1.235 . . . . 0.0 109.912 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.68 -24.04 45.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.244 1.418 . . . . 0.0 112.951 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -79.89 -40.97 27.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.674 1.19 . . . . 0.0 111.455 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -79.92 -26.07 40.28 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.23 43.86 30.68 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.127 0.87 . . . . 0.0 112.96 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.6 t -132.81 138.87 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.11 1.364 . . . . 0.0 111.187 -171.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.7 mt -123.41 117.08 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.861 1.665 . . . . 0.0 108.841 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.5 m -99.84 119.66 38.53 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.71 1.204 . . . . 0.0 110.669 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.66 146.73 24.91 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.66 0.784 . . . . 0.0 111.353 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.83 159.06 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.905 1.682 . . . . 0.0 111.233 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 CA--C 1.535 0.387 0 C-N-CA 124.022 0.929 . . . . 0.0 112.17 179.04 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 121.433 0.635 . . . . 0.0 111.782 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.03 174.1 7.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.198 0.999 . . . . 0.0 113.446 -168.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.47 142.68 35.74 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.534 0.734 . . . . 0.0 110.705 152.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.14 141.99 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 109.741 165.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.47 140.18 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.303 1.441 . . . . 0.0 111.675 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.621 . . . . 0.0 111.703 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -138.8 152.54 47.98 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.933 1.293 . . . . 0.0 113.231 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 39.1 mt -130.68 127.19 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.087 1.755 . . . . 0.0 108.45 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.02 171.73 27.42 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.678 1.132 . . . . 0.0 113.676 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.54 37.37 28.79 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.703 1.601 . . . . 0.0 114.461 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.41 121.94 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.701 1.6 . . . . 0.0 112.0 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -87.84 -32.4 19.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 112.994 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.85 154.06 33.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -134.74 141.99 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.795 2.038 . . . . 0.0 109.503 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -135.12 132.3 37.93 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.354 1.062 . . . . 0.0 111.084 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.05 110.33 22.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 110.043 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 172.61 8.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.616 1.566 . . . . 0.0 110.968 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.26 47.03 1.32 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.134 1.349 . . . . 0.0 114.75 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.01 -3.09 0.13 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.011 1.291 . . . . 0.0 115.886 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 160.7 25.45 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.546 1.673 . . . . 0.0 112.173 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.95 144.63 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.731 0.812 . . . . 0.0 110.751 163.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -122.93 146.96 47.14 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.433 1.893 . . . . 0.0 110.694 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.06 131.85 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.014 1.725 . . . . 0.0 109.815 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.9 m -125.99 129.65 49.63 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.983 0.913 . . . . 0.0 112.096 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.9 p -90.73 169.0 11.33 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.03 1.332 . . . . 0.0 114.217 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -56.13 -21.9 25.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.407 2.283 . . . . 0.0 114.283 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -106.9 19.18 20.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.885 1.674 . . . . 0.0 113.498 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 61.54 13.58 5.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.205 2.202 . . . . 0.0 115.675 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -76.12 142.71 41.58 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.892 -1.13 . . . . 0.0 110.716 167.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -122.1 143.01 49.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.307 1.443 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -129.95 151.29 50.66 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.375 1.87 . . . . 0.0 109.938 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.45 148.22 35.78 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.18 102.95 7.35 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 125.724 1.61 . . . . 0.0 111.007 -170.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.23 145.21 59.46 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.135 2.557 . . . . 0.0 112.383 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.64 3.18 78.23 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.887 1.232 . . . . 0.0 115.731 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.33 163.56 13.02 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.771 1.285 . . . . 0.0 112.505 171.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.89 160.6 38.86 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.613 2.365 . . . . 0.0 109.704 168.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.25 119.72 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.96 -41.74 3.23 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.545 1.069 . . . . 0.0 114.857 -175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -150.12 145.6 26.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.444 1.098 . . . . 0.0 112.083 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -133.33 114.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 126.214 1.806 . . . . 0.0 108.883 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -109.59 98.28 7.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.961 1.305 . . . . 0.0 110.792 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.64 -30.92 69.73 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.529 -0.732 . . . . 0.0 111.863 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -64.43 -18.54 64.82 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -122.28 -18.28 6.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.624 1.17 . . . . 0.0 113.935 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.56 42.18 73.45 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.837 0.732 . . . . 0.0 112.775 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -125.47 134.26 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.498 1.119 . . . . 0.0 111.027 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.35 117.31 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.289 1.436 . . . . 0.0 109.063 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.3 t -103.4 129.89 50.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.725 1.21 . . . . 0.0 111.384 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.7 mt -99.34 150.49 22.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.18 0.992 . . . . 0.0 112.206 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.4 161.45 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.311 1.844 . . . . 0.0 111.52 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 111.607 179.339 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.9 t . . . . . 0 CA--C 1.546 0.82 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptm -148.18 150.58 34.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.767 1.627 . . . . 0.0 110.754 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.43 -179.15 5.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.5 1.52 . . . . 0.0 112.527 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -109.06 143.91 37.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.655 0.782 . . . . 0.0 111.732 161.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -91.12 143.09 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.359 1.464 . . . . 0.0 110.115 169.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.75 137.6 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.714 1.206 . . . . 0.0 111.024 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 126.029 1.732 . . . . 0.0 111.59 -176.47 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.9 t . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 121.429 0.633 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -137.51 135.14 36.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.829 1.652 . . . . 0.0 110.378 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -131.05 117.78 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.19 1.396 . . . . 0.0 109.093 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.03 167.5 39.96 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.373 0.987 . . . . 0.0 114.22 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 55.93 35.1 24.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.067 1.747 . . . . 0.0 114.863 171.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.2 129.92 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.581 1.552 . . . . 0.0 111.11 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.7 mt -97.52 -30.23 13.0 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.1 0.96 . . . . 0.0 113.308 174.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -157.31 150.51 23.73 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -139.17 139.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.973 1.709 . . . . 0.0 110.077 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -125.35 147.9 48.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.188 1.795 . . . . 0.0 110.146 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.58 105.5 12.52 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.219 1.408 . . . . 0.0 108.854 165.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -72.91 176.8 5.36 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.911 1.284 . . . . 0.0 110.873 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 43.06 0.84 Allowed Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.83 1.205 . . . . 0.0 115.675 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.26 -6.5 0.13 Allowed Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.412 1.325 . . . . 0.0 116.412 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 152.36 22.38 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.394 1.597 . . . . 0.0 111.942 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.9 m -93.77 157.49 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 121.704 -0.623 . . . . 0.0 112.382 167.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -134.18 135.55 43.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.151 2.18 . . . . 0.0 110.084 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -129.1 134.8 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.942 2.097 . . . . 0.0 109.788 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -130.56 130.68 44.39 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.715 0.806 . . . . 0.0 112.557 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.3 p -91.82 166.94 12.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.94 -28.14 55.56 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.777 2.031 . . . . 0.0 113.32 170.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -100.09 18.29 18.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.665 1.586 . . . . 0.0 113.101 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.33 28.57 18.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.888 2.075 . . . . 0.0 114.7 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -79.57 140.75 37.08 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.128 -0.982 . . . . 0.0 110.197 164.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -116.08 136.34 53.11 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.848 1.259 . . . . 0.0 111.398 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -130.49 141.87 50.49 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.605 1.562 . . . . 0.0 109.607 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.09 143.62 30.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.312 0.645 . . . . 0.0 112.666 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -144.55 114.02 5.15 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.351 1.06 . . . . 0.0 111.394 -169.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.86 151.52 84.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.007 2.471 . . . . 0.0 113.876 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.97 12.27 83.41 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.859 1.218 . . . . 0.0 115.784 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 161.42 15.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.464 1.132 . . . . 0.0 113.001 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 164.25 30.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.054 2.142 . . . . 0.0 110.71 166.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.0 mt -74.33 121.83 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.13 -0.982 . . . . 0.0 109.503 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.79 -38.4 3.9 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.777 1.18 . . . . 0.0 114.227 -177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.97 148.37 32.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.149 1.38 . . . . 0.0 111.916 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.59 119.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.031 1.732 . . . . 0.0 107.659 167.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -129.02 100.17 5.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.163 . . . . 0.0 110.196 -174.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.6 mt -85.96 -13.48 47.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.723 1.209 . . . . 0.0 113.438 -174.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -70.69 -46.86 62.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.729 1.212 . . . . 0.0 110.96 167.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.54 -32.19 47.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.826 1.25 . . . . 0.0 113.626 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.74 41.78 10.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.718 1.151 . . . . 0.0 112.914 -172.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.1 141.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.165 1.386 . . . . 0.0 111.538 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -119.13 122.4 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 126.152 1.781 . . . . 0.0 108.173 171.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.5 m -109.0 128.07 54.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.04 0.936 . . . . 0.0 110.899 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.4 mt -106.85 148.27 28.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.665 1.186 . . . . 0.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -136.24 160.25 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 126.248 1.819 . . . . 0.0 111.097 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 123.492 0.717 . . . . 0.0 112.401 179.738 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.698 0.285 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.12 178.72 6.86 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.228 1.411 . . . . 0.0 112.367 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -110.08 137.32 48.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 111.582 164.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 t -89.94 143.53 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.683 1.193 . . . . 0.0 110.095 172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -127.72 136.3 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.435 1.494 . . . . 0.0 110.205 166.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.467 0.418 0 C-N-CA 125.104 1.362 . . . . 0.0 111.76 -174.441 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.474 0.178 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -127.42 148.16 50.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.018 1.327 . . . . 0.0 111.96 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.3 mt -135.47 120.68 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.183 1.393 . . . . 0.0 109.107 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.31 168.83 37.15 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.53 1.062 . . . . 0.0 114.304 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 56.96 29.5 16.45 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.447 1.499 . . . . 0.0 114.955 173.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 99.7 t -75.04 124.71 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.88 1.272 . . . . 0.0 110.828 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 30.0 tp -94.49 -34.85 12.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.528 1.531 . . . . 0.0 112.426 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -156.47 154.04 29.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 122.101 0.953 . . . . 0.0 112.926 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -138.32 138.42 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.607 1.963 . . . . 0.0 109.503 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -136.77 120.59 17.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.14 20.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.644 1.178 . . . . 0.0 110.478 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -87.85 -176.54 5.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.741 1.616 . . . . 0.0 110.9 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.15 52.17 Favored Glycine 0 CA--C 1.542 1.776 0 O-C-N 120.609 -1.307 . . . . 0.0 116.203 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.58 18.09 0.21 Allowed Glycine 0 CA--C 1.539 1.56 0 CA-C-N 118.43 1.115 . . . . 0.0 115.166 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 158.53 33.49 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 0.0 111.911 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.9 138.68 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.554 0.742 . . . . 0.0 111.362 163.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -106.83 140.0 40.36 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.747 2.019 . . . . 0.0 110.171 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.3 t -131.42 122.15 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 126.498 1.919 . . . . 0.0 109.495 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.4 m -126.58 131.73 51.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.977 0.911 . . . . 0.0 112.172 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.9 p -91.85 161.29 14.91 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.288 1.435 . . . . 0.0 112.348 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -72.3 -4.09 27.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.35 7.48 38.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.231 1.412 . . . . 0.0 113.016 168.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 62.49 18.33 10.31 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.148 2.179 . . . . 0.0 114.463 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.6 138.13 37.34 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.874 -1.141 . . . . 0.0 110.152 163.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -132.37 143.42 49.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.727 1.211 . . . . 0.0 111.763 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -127.08 149.39 49.95 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.407 1.883 . . . . 0.0 109.97 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.85 142.03 42.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.987 0.915 . . . . 0.0 112.502 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -138.95 94.69 9.89 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.155 1.382 . . . . 0.0 111.165 -169.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -59.15 144.55 99.34 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.243 2.629 . . . . 0.0 113.01 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.84 12.99 82.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.618 1.104 . . . . 0.0 115.251 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -110.02 164.4 12.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.723 1.209 . . . . 0.0 112.837 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 162.54 35.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.056 2.142 . . . . 0.0 110.461 165.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.15 123.58 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.862 -1.149 . . . . 0.0 109.087 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.85 -35.44 4.01 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.433 1.016 . . . . 0.0 114.397 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -148.73 156.81 42.88 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.502 1.151 . . . . 0.0 112.163 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.39 124.27 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.179 164.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -120.51 86.96 2.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.273 1.829 . . . . 0.0 109.462 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -69.2 -23.16 63.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.756 0.822 . . . . 0.0 112.206 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -58.83 -28.55 66.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.041 1.736 . . . . 0.0 113.03 167.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -108.84 -24.29 11.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.023 1.729 . . . . 0.0 113.921 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.96 38.22 20.03 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.754 1.168 . . . . 0.0 113.208 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.58 140.83 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.789 1.236 . . . . 0.0 112.268 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.8 mt -123.39 130.5 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.533 1.933 . . . . 0.0 108.929 172.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.0 m -111.28 128.9 56.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.075 0.95 . . . . 0.0 111.015 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.86 152.31 19.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.841 0.856 . . . . 0.0 111.789 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -130.5 162.51 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.456 1.902 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--O 1.24 0.563 0 C-N-CA 123.877 0.871 . . . . 0.0 110.98 179.556 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 CA--C 1.544 0.743 0 CA-C-O 121.58 0.705 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.46 165.73 26.6 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.309 1.444 . . . . 0.0 110.058 163.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.06 168.46 19.69 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -91.56 139.17 30.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.912 1.685 . . . . 0.0 109.649 163.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.89 141.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.104 1.362 . . . . 0.0 109.765 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.64 143.78 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.239 1.016 . . . . 0.0 112.745 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 127.162 2.185 . . . . 0.0 110.776 179.497 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.41 152.83 44.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.024 0.93 . . . . 0.0 113.187 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.3 mt -131.74 124.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 0.0 108.527 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.49 170.9 35.9 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.298 0.951 . . . . 0.0 113.51 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.05 31.67 20.99 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.2 t -75.13 131.53 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.948 1.699 . . . . 0.0 111.98 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.1 mt -99.45 -23.23 15.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.6 1.16 . . . . 0.0 114.024 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -152.59 146.81 25.51 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.59 130.13 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.426 1.891 . . . . 0.0 109.008 171.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -139.05 130.48 27.06 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.157 0.983 . . . . 0.0 111.656 -174.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.1 147.84 31.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.677 0.791 . . . . 0.0 110.974 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -130.06 -175.7 3.7 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.37 2.268 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.58 75.86 0.21 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.762 1.172 . . . . 0.0 113.215 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.86 24.63 27.12 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.535 1.541 . . . . 0.0 115.27 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.33 169.12 24.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.902 1.281 . . . . 0.0 112.862 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -124.19 141.93 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 125.009 1.324 . . . . 0.0 111.04 167.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -114.73 146.84 40.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.089 2.156 . . . . 0.0 111.013 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.4 t -139.95 136.72 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 126.611 1.964 . . . . 0.0 109.472 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.6 m -137.25 134.06 35.76 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.883 1.219 . . . . 0.0 112.998 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -87.79 169.68 11.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.918 1.687 . . . . 0.0 113.505 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.75 -12.15 57.54 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 171.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -83.33 3.16 32.75 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.909 1.283 . . . . 0.0 113.014 169.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 63.14 17.43 10.16 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.218 2.207 . . . . 0.0 114.415 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -79.94 116.96 20.38 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.707 -1.245 . . . . 0.0 110.305 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -91.59 143.08 26.94 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.367 1.067 . . . . 0.0 112.146 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -133.43 148.24 51.76 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.902 2.081 . . . . 0.0 109.566 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.51 142.52 31.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.517 0.727 . . . . 0.0 112.472 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -138.53 109.82 8.07 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.166 1.386 . . . . 0.0 111.47 -170.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.22 149.51 45.84 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.013 2.475 . . . . 0.0 112.216 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.65 11.39 84.07 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 124.85 1.214 . . . . 0.0 115.302 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.41 164.22 12.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.938 1.295 . . . . 0.0 112.652 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.25 161.84 35.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.32 2.248 . . . . 0.0 110.099 165.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -73.97 114.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.321 -0.862 . . . . 0.0 108.969 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.51 -55.14 2.1 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.171 0.891 . . . . 0.0 113.178 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -143.94 147.22 33.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.264 1.025 . . . . 0.0 111.683 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.16 126.42 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.688 1.595 . . . . 0.0 108.836 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -135.96 103.74 5.47 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.148 0.979 . . . . 0.0 110.256 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.28 -30.09 54.14 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.214 1.406 . . . . 0.0 112.246 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -65.57 -41.58 92.74 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 0.0 111.39 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 t -80.26 -32.85 38.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.759 1.223 . . . . 0.0 113.177 172.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.28 32.24 29.01 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.529 1.538 . . . . 0.0 114.003 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.07 142.31 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.89 1.276 . . . . 0.0 111.834 -171.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -126.13 132.05 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 127.368 2.267 . . . . 0.0 108.839 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -118.61 123.7 45.64 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.498 1.119 . . . . 0.0 111.274 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.64 152.62 20.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.419 1.088 . . . . 0.0 111.705 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.52 159.03 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.751 1.621 . . . . 0.0 111.809 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.473 0.698 0 C-N-CA 123.727 0.811 . . . . 0.0 111.661 -178.094 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.34 172.21 11.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.921 1.289 . . . . 0.0 112.896 -171.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -106.64 134.24 50.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.519 1.128 . . . . 0.0 111.06 166.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -99.15 139.12 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.346 1.458 . . . . 0.0 109.931 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.88 139.38 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 111.813 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.471 0.601 0 C-N-CA 126.532 1.933 . . . . 0.0 111.019 179.497 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -129.3 135.3 48.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.101 1.361 . . . . 0.0 110.444 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.28 117.77 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.74 1.216 . . . . 0.0 109.071 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.14 165.83 34.7 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.21 0.909 . . . . 0.0 113.77 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 55.44 34.12 22.34 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.756 1.622 . . . . 0.0 114.291 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.96 125.59 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.121 1.369 . . . . 0.0 111.019 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.4 mt -85.73 -31.53 22.37 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.394 1.077 . . . . 0.0 112.767 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -162.19 149.86 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 112.947 -172.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.49 152.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.827 1.651 . . . . 0.0 111.564 172.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -139.27 127.19 22.21 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.883 1.273 . . . . 0.0 111.388 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.89 138.11 34.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.56 1.144 . . . . 0.0 111.225 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -131.09 179.29 6.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.471 1.908 . . . . 0.0 110.861 -177.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.76 28.18 0.23 Allowed Glycine 0 CA--C 1.541 1.701 0 C-N-CA 126.026 1.774 . . . . 0.0 117.137 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.61 -0.1 0.04 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.402 1.477 . . . . 0.0 115.896 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.69 164.51 33.91 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.144 1.972 . . . . 0.0 112.997 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.12 141.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.422 1.489 . . . . 0.0 111.059 164.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -114.5 147.86 38.74 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.741 2.016 . . . . 0.0 111.135 171.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -141.58 136.8 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.454 1.901 . . . . 0.0 110.099 -171.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -134.39 131.64 38.46 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.674 1.124 . . . . 0.0 113.373 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.9 p -86.25 172.37 10.54 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.77 -29.92 12.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.985 2.514 . . . . 0.0 113.372 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -100.47 15.47 27.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.295 1.438 . . . . 0.0 113.003 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.02 21.26 10.38 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.957 2.103 . . . . 0.0 114.586 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.48 125.7 28.52 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.996 -1.065 . . . . 0.0 109.851 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -99.47 140.58 33.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.009 0.924 . . . . 0.0 112.334 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -128.82 150.23 50.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.122 1.769 . . . . 0.0 109.834 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.53 142.8 30.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.657 0.783 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -139.76 110.92 7.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.8 1.24 . . . . 0.0 111.404 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.8 149.84 54.85 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.856 2.371 . . . . 0.0 112.637 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.66 6.94 88.85 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.393 1.473 . . . . 0.0 115.288 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.43 164.28 11.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.608 1.204 . . . . 0.0 113.062 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.56 165.47 27.42 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.522 2.329 . . . . 0.0 110.068 162.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.1 mt -76.53 122.75 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.82 -39.14 3.93 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.133 0.873 . . . . 0.0 114.212 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -146.99 152.57 38.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.454 1.102 . . . . 0.0 112.335 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.15 138.18 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.351 1.46 . . . . 0.0 110.478 161.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -132.02 98.37 4.42 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.41 1.884 . . . . 0.0 108.672 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.411 ' H ' HD22 ' B' ' 53' ' ' LEU . 2.1 mm? -70.23 -27.49 64.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.301 1.44 . . . . 0.0 111.802 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.87 -41.83 86.63 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.711 1.604 . . . . 0.0 111.417 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 38.3 m -89.95 -23.35 21.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.77 1.228 . . . . 0.0 113.992 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.98 42.46 19.9 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.664 1.126 . . . . 0.0 112.963 -172.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.97 143.16 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.159 1.384 . . . . 0.0 112.271 -170.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.9 mt -127.81 136.18 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.001 2.12 . . . . 0.0 109.384 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 14.6 m -118.35 126.86 52.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 174.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.5 mt -94.93 153.74 17.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.827 0.851 . . . . 0.0 111.579 171.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.81 161.46 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 126.55 1.94 . . . . 0.0 111.128 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.294 1.038 . . . . 0.0 111.106 177.03 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -144.45 153.08 41.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.367 1.067 . . . . 0.0 111.56 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.57 -174.59 3.28 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.675 1.59 . . . . 0.0 112.007 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -122.23 137.03 54.98 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.84 0.856 . . . . 0.0 111.675 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 t -82.57 144.68 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 110.133 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.87 138.0 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.312 1.445 . . . . 0.0 111.598 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 126.324 1.85 . . . . 0.0 109.963 177.368 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -137.37 149.27 46.86 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.568 1.147 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.4 mt -130.76 120.68 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.287 1.435 . . . . 0.0 108.825 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.56 165.9 37.4 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.938 0.78 . . . . 0.0 114.148 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 54.07 39.43 30.61 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.229 1.812 . . . . 0.0 113.687 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.54 127.65 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.084 1.754 . . . . 0.0 111.26 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -93.23 -36.17 12.73 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.255 1.022 . . . . 0.0 112.508 170.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -136.96 144.19 43.25 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.875 0.761 . . . . 0.0 112.889 -170.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.59 129.89 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.202 1.401 . . . . 0.0 108.883 173.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -136.57 119.83 16.75 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.94 0.896 . . . . 0.0 111.457 -169.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.6 135.74 36.12 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.275 0.56 . . . . 0.0 110.353 167.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -133.41 -169.46 2.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.009 1.724 . . . . 0.0 110.811 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.37 73.96 0.3 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.272 1.415 . . . . 0.0 113.794 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 18.3 32.52 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.662 1.601 . . . . 0.0 114.978 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.84 164.28 38.72 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.954 1.377 . . . . 0.0 112.597 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -113.44 136.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.197 0.999 . . . . 0.0 110.684 163.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -107.97 151.79 25.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.564 1.945 . . . . 0.0 110.894 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -140.53 133.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.146 1.778 . . . . 0.0 110.107 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.2 m -124.84 130.72 52.93 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.398 0.999 . . . . 0.0 111.989 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -88.53 167.65 13.24 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.134 1.374 . . . . 0.0 113.702 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tt -55.5 -28.75 56.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 113.411 169.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -85.89 7.15 25.23 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.903 1.681 . . . . 0.0 113.335 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 61.92 18.22 9.64 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.334 1.854 . . . . 0.0 114.697 -174.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.13 152.13 32.97 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.159 -0.963 . . . . 0.0 110.988 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -128.13 140.05 52.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.235 1.014 . . . . 0.0 112.369 -175.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -127.06 151.46 48.58 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.912 1.685 . . . . 0.0 109.487 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.07 143.76 30.6 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.768 0.827 . . . . 0.0 112.493 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.73 111.55 8.89 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.474 1.51 . . . . 0.0 111.084 -171.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.36 147.9 53.76 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.04 2.8 83.62 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.535 1.54 . . . . 0.0 115.611 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.3 mt -94.74 166.1 12.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.254 1.527 . . . . 0.0 112.945 174.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.26 162.22 35.52 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.784 2.434 . . . . 0.0 110.588 165.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -75.5 121.33 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.29 -43.43 3.23 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.409 1.004 . . . . 0.0 114.052 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -151.41 147.07 26.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.548 1.139 . . . . 0.0 112.38 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.3 t -126.77 130.41 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.818 2.047 . . . . 0.0 108.599 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -134.81 103.18 5.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.936 1.295 . . . . 0.0 110.123 -174.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.81 -27.1 44.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.421 1.488 . . . . 0.0 112.239 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -67.0 -49.19 66.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.868 0.867 . . . . 0.0 110.929 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -85.76 -23.08 27.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.51 1.124 . . . . 0.0 113.772 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.84 45.86 11.82 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.73 1.157 . . . . 0.0 113.304 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -133.87 142.79 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.595 1.158 . . . . 0.0 111.445 -173.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.8 mt -126.66 124.92 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.63 1.572 . . . . 0.0 109.176 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 t -109.41 128.58 55.24 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.021 1.328 . . . . 0.0 111.574 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -101.46 150.08 23.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.363 1.065 . . . . 0.0 111.984 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.59 161.58 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.979 1.712 . . . . 0.0 110.909 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 124.521 1.128 . . . . 0.0 111.535 -179.74 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.852 0.358 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.7 177.42 5.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.199 1.399 . . . . 0.0 112.649 -171.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 132.71 56.49 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.414 1.085 . . . . 0.0 111.46 167.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.88 144.93 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.929 1.691 . . . . 0.0 110.342 173.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.48 140.54 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.161 1.384 . . . . 0.0 112.182 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 126.994 2.118 . . . . 0.0 110.639 177.855 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -136.82 149.05 47.51 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.861 1.264 . . . . 0.0 112.213 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.3 mt -132.33 121.23 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.659 1.583 . . . . 0.0 108.727 175.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.22 170.13 33.98 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.23 0.919 . . . . 0.0 114.236 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 57.44 33.63 23.54 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.99 1.716 . . . . 0.0 114.634 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.84 129.14 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.287 1.835 . . . . 0.0 111.469 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -92.06 -29.94 16.29 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.603 1.161 . . . . 0.0 113.511 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.91 155.47 34.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.19 131.9 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.908 1.683 . . . . 0.0 109.409 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -119.79 143.12 48.01 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.749 1.62 . . . . 0.0 110.447 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.6 136.27 53.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.795 1.238 . . . . 0.0 112.21 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -102.96 179.72 4.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.368 1.867 . . . . 0.0 110.407 168.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.6 -13.54 45.87 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.856 -1.153 . . . . 0.0 115.42 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.06 32.77 0.29 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.952 1.263 . . . . 0.0 114.402 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.48 166.19 25.22 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.519 1.528 . . . . 0.0 112.11 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -129.51 160.48 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 164.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -132.66 140.21 48.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.888 2.075 . . . . 0.0 110.283 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -131.47 131.95 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.961 2.104 . . . . 0.0 110.058 -171.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -132.94 134.7 44.88 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.142 0.977 . . . . 0.0 112.589 -175.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 p -103.28 167.78 9.6 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.742 1.617 . . . . 0.0 112.929 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.74 -9.61 51.69 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -82.68 4.37 25.23 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.105 1.362 . . . . 0.0 113.587 171.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 62.46 15.61 7.95 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.778 2.031 . . . . 0.0 114.29 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.41 148.5 35.45 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.925 -1.109 . . . . 0.0 111.366 168.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -137.26 141.47 41.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.615 1.166 . . . . 0.0 112.012 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.0 148.65 50.1 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.568 1.947 . . . . 0.0 110.031 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.53 144.27 34.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.884 0.874 . . . . 0.0 112.319 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -140.14 104.24 6.69 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 124.898 1.279 . . . . 0.0 111.131 -171.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.45 143.41 47.43 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.457 2.105 . . . . 0.0 111.792 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.13 4.65 88.16 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.586 1.565 . . . . 0.0 114.62 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.56 161.75 13.62 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.658 1.229 . . . . 0.0 112.109 172.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.28 161.62 35.27 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.911 2.085 . . . . 0.0 110.258 164.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.39 115.55 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.39 -68.63 1.31 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.981 0.8 . . . . 0.0 112.516 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -140.95 141.84 34.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 111.878 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.54 132.86 69.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 127.256 2.223 . . . . 0.0 109.028 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.54 90.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.861 1.265 . . . . 0.0 108.827 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.53 -13.24 60.35 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.282 1.033 . . . . 0.0 113.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -71.4 -40.19 70.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.123 0.969 . . . . 0.0 110.852 172.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -83.05 -28.87 29.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.189 1.396 . . . . 0.0 113.69 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.93 30.31 23.67 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 126.006 1.765 . . . . 0.0 113.976 -174.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -118.08 142.6 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.836 1.654 . . . . 0.0 112.405 -169.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.8 mt -123.3 112.17 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.565 1.546 . . . . 0.0 109.038 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -96.24 121.61 38.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.22 1.408 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.33 151.71 21.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.22 159.02 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.716 1.606 . . . . 0.0 111.409 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 124.042 0.937 . . . . 0.0 111.469 178.242 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 121.236 0.541 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -150.76 160.09 44.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.272 1.429 . . . . 0.0 110.656 168.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.03 -179.43 5.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.866 1.266 . . . . 0.0 112.643 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -104.32 145.03 30.83 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 157.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -88.07 143.28 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.94 0.896 . . . . 0.0 109.484 163.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.01 138.95 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.492 1.517 . . . . 0.0 110.554 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.536 0.404 0 C-N-CA 126.052 1.741 . . . . 0.0 110.703 179.413 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -134.87 147.45 49.87 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.829 1.252 . . . . 0.0 112.107 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.22 120.72 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.591 1.556 . . . . 0.0 108.83 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.88 167.33 36.41 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.777 1.18 . . . . 0.0 115.095 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 54.27 34.99 21.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.385 1.874 . . . . 0.0 114.527 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.65 126.08 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.299 1.439 . . . . 0.0 111.254 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.6 mt -87.9 -37.01 16.83 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.121 0.969 . . . . 0.0 112.367 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.44 151.75 34.53 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -168.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.59 137.23 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.927 1.691 . . . . 0.0 109.392 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -130.6 124.57 32.04 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.239 1.815 . . . . 0.0 110.385 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.82 48.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.602 1.161 . . . . 0.0 111.581 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -86.59 -174.4 4.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.79 1.636 . . . . 0.0 111.001 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -14.96 53.17 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.864 -1.147 . . . . 0.0 114.988 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.21 37.51 0.17 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.566 1.079 . . . . 0.0 114.031 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.33 162.72 33.55 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.056 1.742 . . . . 0.0 110.895 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.88 140.89 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 111.711 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -119.19 145.51 45.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.238 2.215 . . . . 0.0 110.594 173.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.4 t -140.16 131.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.783 1.633 . . . . 0.0 109.649 -169.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.8 m -131.44 134.12 45.88 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.089 1.313 . . . . 0.0 113.483 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 p -85.49 172.09 11.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.692 1.597 . . . . 0.0 114.707 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -51.96 -26.08 9.69 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.647 2.379 . . . . 0.0 113.755 168.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.55 18.0 22.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 113.158 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 62.04 16.75 8.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.276 2.231 . . . . 0.0 114.935 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -78.7 117.44 19.84 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.146 -0.971 . . . . 0.0 110.359 174.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -95.1 142.15 27.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.894 0.878 . . . . 0.0 112.368 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -124.63 151.47 44.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.246 2.219 . . . . 0.0 109.493 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.55 139.75 31.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.998 0.919 . . . . 0.0 112.679 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -142.59 111.15 5.8 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.38 1.472 . . . . 0.0 111.623 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.68 150.95 51.47 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.846 2.364 . . . . 0.0 111.802 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 12.73 82.47 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.42 1.01 . . . . 0.0 114.989 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 mt -108.92 163.95 12.84 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.75 1.275 . . . . 0.0 113.121 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.36 163.67 33.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.021 2.128 . . . . 0.0 110.363 163.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -76.3 121.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.768 0.827 . . . . 0.0 109.586 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.8 -44.5 2.87 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.089 1.328 . . . . 0.0 114.174 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -150.06 145.15 26.21 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.399 1.08 . . . . 0.0 110.794 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.49 130.12 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.413 1.885 . . . . 0.0 108.44 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -138.33 99.65 3.91 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.692 0.797 . . . . 0.0 110.821 -165.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.56 -31.68 60.13 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.916 1.286 . . . . 0.0 111.526 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -65.09 -40.59 94.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.878 1.671 . . . . 0.0 112.502 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -97.94 -21.02 17.09 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.39 52.1 5.75 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.77 1.176 . . . . 0.0 113.572 -176.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.9 t -141.21 144.63 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.233 1.413 . . . . 0.0 111.949 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.02 127.69 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.594 1.157 . . . . 0.0 109.643 161.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.1 t -106.12 126.5 52.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.762 1.225 . . . . 0.0 110.7 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -101.6 150.51 23.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.362 1.465 . . . . 0.0 111.928 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.25 159.36 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.729 1.612 . . . . 0.0 111.181 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.74 1.216 . . . . 0.0 111.556 -178.366 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.4 ptm . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.65 -176.95 4.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.657 1.183 . . . . 0.0 112.496 -170.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -122.06 149.6 43.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.141 0.976 . . . . 0.0 112.86 165.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.6 t -95.39 144.65 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 110.559 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.12 137.5 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.121 1.368 . . . . 0.0 111.314 170.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 126.338 1.855 . . . . 0.0 110.876 177.706 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.69 148.01 50.23 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.426 1.09 . . . . 0.0 111.758 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.6 mt -130.18 118.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.918 1.287 . . . . 0.0 108.969 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.23 169.69 40.13 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.245 0.926 . . . . 0.0 114.209 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 57.0 34.81 25.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.757 1.623 . . . . 0.0 114.575 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.07 131.21 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.36 1.464 . . . . 0.0 111.082 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -98.94 -28.68 13.32 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.232 1.413 . . . . 0.0 113.418 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -158.92 159.33 34.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.5 t -133.66 137.32 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 127.313 2.245 . . . . 0.0 109.52 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -129.28 131.74 47.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.808 1.643 . . . . 0.0 111.135 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.65 129.36 41.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.074 0.95 . . . . 0.0 110.685 168.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -110.7 170.62 7.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.73 . . . . 0.0 110.527 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.07 33.46 0.52 Allowed Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.387 1.47 . . . . 0.0 115.538 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.06 -1.3 0.03 OUTLIER Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.857 1.694 . . . . 0.0 115.686 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.54 163.83 29.94 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.393 1.596 . . . . 0.0 112.18 -175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -106.42 144.54 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.246 1.018 . . . . 0.0 110.881 158.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -125.52 145.98 49.86 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.978 2.111 . . . . 0.0 110.467 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.22 134.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.479 1.512 . . . . 0.0 110.433 -169.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.8 m -122.06 129.81 52.73 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.124 0.969 . . . . 0.0 112.324 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.4 p -91.55 166.39 12.86 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.01 1.324 . . . . 0.0 113.394 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.6 tp -55.96 -25.68 44.83 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.953 2.101 . . . . 0.0 113.953 169.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -101.86 19.99 17.25 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.564 1.546 . . . . 0.0 113.648 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t0 60.46 25.62 15.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.027 2.131 . . . . 0.0 114.662 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.26 143.03 31.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.083 -1.01 . . . . 0.0 110.279 165.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -114.1 137.01 52.3 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.374 1.07 . . . . 0.0 111.565 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -118.82 150.78 39.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.801 1.64 . . . . 0.0 110.16 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.25 141.2 28.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.732 0.813 . . . . 0.0 112.737 -176.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -140.46 96.45 7.78 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 125.525 1.53 . . . . 0.0 111.629 -170.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.82 144.14 99.5 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.447 2.764 . . . . 0.0 113.144 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 5.59 85.47 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.04 1.305 . . . . 0.0 115.465 175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.32 161.28 13.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.685 1.242 . . . . 0.0 112.742 170.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.83 158.06 45.13 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.386 2.275 . . . . 0.0 109.878 168.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.48 122.09 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.438 -0.788 . . . . 0.0 109.545 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.13 -42.67 2.36 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.541 1.067 . . . . 0.0 114.327 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -146.92 146.56 30.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.589 1.156 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.31 137.48 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.403 1.881 . . . . 0.0 109.013 171.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -145.91 96.79 2.86 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.221 1.008 . . . . 0.0 109.973 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.9 mt -79.72 -19.32 49.13 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.086 1.355 . . . . 0.0 112.694 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -69.81 -43.99 70.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.955 1.702 . . . . 0.0 110.302 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -78.52 -32.44 48.04 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.184 1.394 . . . . 0.0 112.999 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.15 36.66 17.36 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.073 1.321 . . . . 0.0 113.637 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.52 142.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.204 1.402 . . . . 0.0 112.673 -170.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.19 126.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.854 1.662 . . . . 0.0 109.509 168.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.9 m -107.66 132.81 52.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.748 1.219 . . . . 0.0 111.712 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.6 mt -101.86 154.82 18.58 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.347 1.059 . . . . 0.0 112.365 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.58 162.63 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.598 1.959 . . . . 0.0 111.5 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.473 0.716 0 O-C-N 121.165 -0.96 . . . . 0.0 111.662 179.325 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 CA--C 1.542 0.636 0 CA-C-O 121.01 0.433 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.9 ptp -153.13 171.8 17.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.653 1.581 . . . . 0.0 110.979 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.53 177.68 7.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.83 1.252 . . . . 0.0 111.794 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -112.33 140.59 46.92 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.604 0.761 . . . . 0.0 110.607 157.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.9 t -88.18 142.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.622 1.169 . . . . 0.0 109.952 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.2 137.58 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.991 1.317 . . . . 0.0 110.819 166.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 125.927 1.691 . . . . 0.0 111.948 -176.488 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 121.135 0.493 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -124.72 151.06 45.52 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.517 0.727 . . . . 0.0 112.557 168.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.1 mt -132.08 115.22 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.329 1.451 . . . . 0.0 107.966 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.22 168.54 42.73 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.488 1.042 . . . . 0.0 113.81 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 57.56 30.7 19.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.133 1.373 . . . . 0.0 114.69 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -72.62 129.13 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.503 1.121 . . . . 0.0 111.185 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.2 mt -99.61 -27.92 13.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.168 0.987 . . . . 0.0 113.137 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -156.81 158.45 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.368 0.986 . . . . 0.0 113.133 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.87 140.5 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 127.078 2.151 . . . . 0.0 110.162 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -128.92 132.5 47.67 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.019 2.127 . . . . 0.0 111.456 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.16 123.76 29.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.124 0.57 . . . . 0.0 110.486 163.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -94.81 174.2 7.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.931 1.693 . . . . 0.0 111.057 170.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.64 84.56 0.2 Allowed Glycine 0 CA--C 1.533 1.189 0 O-C-N 121.101 -1.0 . . . . 0.0 111.789 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.54 14.9 39.35 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.059 1.314 . . . . 0.0 116.199 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.55 170.29 22.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.008 1.404 . . . . 0.0 112.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.7 t -122.62 143.2 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.448 1.099 . . . . 0.0 110.921 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -121.51 146.16 47.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.645 1.978 . . . . 0.0 110.948 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.8 t -141.02 138.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 126.029 1.732 . . . . 0.0 109.566 -168.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 m -131.16 135.32 47.33 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 119.81 1.186 . . . . 0.0 113.155 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.6 p -85.77 170.6 12.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.367 1.467 . . . . 0.0 113.879 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -52.22 -28.26 17.84 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.134 2.173 . . . . 0.0 113.33 168.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -98.04 17.99 17.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.298 1.439 . . . . 0.0 113.239 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t0 60.81 22.88 12.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.973 2.109 . . . . 0.0 114.303 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -85.66 118.04 24.93 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.945 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.51 141.27 29.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.284 0.633 . . . . 0.0 112.166 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -125.85 150.17 48.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.976 2.111 . . . . 0.0 109.698 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.66 139.57 29.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.886 0.874 . . . . 0.0 112.535 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -142.63 105.59 5.41 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.904 1.281 . . . . 0.0 111.895 -168.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -63.55 150.84 87.49 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 123.027 2.485 . . . . 0.0 113.581 175.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.62 5.84 86.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.699 1.143 . . . . 0.0 115.764 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.7 mt -97.29 163.53 12.86 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.538 1.169 . . . . 0.0 113.168 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.27 156.94 45.82 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.297 2.239 . . . . 0.0 110.259 167.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.66 113.31 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.08 -43.16 3.34 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.743 1.163 . . . . 0.0 114.648 -171.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -149.88 146.22 26.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.444 1.098 . . . . 0.0 111.539 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -128.61 134.78 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.987 2.115 . . . . 0.0 108.916 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -142.24 106.33 4.75 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.172 1.389 . . . . 0.0 110.203 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.19 -26.59 33.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.968 1.307 . . . . 0.0 112.699 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -70.96 -42.13 70.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.606 1.162 . . . . 0.0 111.431 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -31.71 42.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.48 1.112 . . . . 0.0 112.871 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.55 44.96 8.96 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.751 1.167 . . . . 0.0 112.487 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.3 t -135.28 141.57 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.263 1.425 . . . . 0.0 112.078 -173.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.2 mt -123.83 125.26 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.295 1.838 . . . . 0.0 108.744 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -105.81 123.42 47.93 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.259 1.024 . . . . 0.0 110.988 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.12 143.08 28.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.515 1.126 . . . . 0.0 110.984 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.35 159.98 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.691 1.596 . . . . 0.0 111.103 -174.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 124.595 1.158 . . . . 0.0 111.257 -178.859 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mtp . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 121.231 0.539 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.21 177.09 7.94 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.569 1.147 . . . . 0.0 111.882 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -124.72 140.42 52.95 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 111.482 165.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -94.4 142.39 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.308 1.443 . . . . 0.0 110.44 176.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.73 142.06 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.659 1.184 . . . . 0.0 112.242 172.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 126.388 1.875 . . . . 0.0 111.18 177.645 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -140.18 132.53 28.38 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.788 1.635 . . . . 0.0 111.014 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -129.64 118.76 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.388 1.475 . . . . 0.0 109.549 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.75 174.1 35.76 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.732 1.158 . . . . 0.0 114.54 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 55.98 33.39 21.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.985 1.714 . . . . 0.0 114.733 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -75.6 131.16 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.838 1.655 . . . . 0.0 110.59 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 mt -98.18 -30.52 12.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.288 1.035 . . . . 0.0 112.987 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -153.62 154.28 33.91 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.55 132.21 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.747 1.619 . . . . 0.0 109.129 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -117.0 142.28 47.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.08 1.752 . . . . 0.0 110.776 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.6 115.43 30.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.15 0.98 . . . . 0.0 109.435 160.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -85.75 -175.08 5.46 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.572 1.949 . . . . 0.0 111.644 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.97 -9.62 47.76 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.801 1.191 . . . . 0.0 115.995 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.34 14.07 0.15 Allowed Glycine 0 N--CA 1.48 1.571 0 CA-C-N 119.229 1.514 . . . . 0.0 115.599 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.01 169.89 23.3 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.483 1.513 . . . . 0.0 111.777 -174.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -112.01 155.51 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 121.27 0.557 . . . . 0.0 111.659 157.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -129.8 137.2 50.37 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.519 1.927 . . . . 0.0 110.245 175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.52 127.69 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 109.484 -173.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.7 m -125.91 128.03 46.93 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.116 0.871 . . . . 0.0 112.161 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -95.02 165.53 12.39 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.669 1.588 . . . . 0.0 112.748 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.79 -12.64 50.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -81.32 3.21 24.99 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.269 1.428 . . . . 0.0 113.424 173.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 60.31 14.59 4.76 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.179 2.191 . . . . 0.0 114.016 -169.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -79.77 140.73 36.8 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.445 1.098 . . . . 0.0 111.14 169.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -120.68 141.75 50.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.24 1.416 . . . . 0.0 111.654 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -121.39 150.34 41.63 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.611 1.964 . . . . 0.0 110.062 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.35 142.86 31.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.457 0.703 . . . . 0.0 112.484 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -141.23 107.66 6.19 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 -172.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.92 147.27 49.25 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.954 2.436 . . . . 0.0 111.971 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.93 6.11 72.12 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.814 1.197 . . . . 0.0 115.774 174.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 41.2 mt -95.7 165.61 12.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.509 1.155 . . . . 0.0 112.028 169.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.85 159.99 41.11 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.381 2.272 . . . . 0.0 110.673 171.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -76.72 118.28 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.06 -37.7 4.04 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.394 0.997 . . . . 0.0 114.533 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.1 144.24 25.61 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.378 1.089 . . . . 0.0 111.365 -178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.91 131.69 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.741 1.616 . . . . 0.0 108.824 173.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -143.43 103.65 4.13 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.087 0.955 . . . . 0.0 110.436 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.6 -15.33 59.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.326 1.05 . . . . 0.0 112.695 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -70.19 -45.81 65.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.712 1.205 . . . . 0.0 110.36 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -81.56 -25.94 35.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.313 1.445 . . . . 0.0 113.056 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.2 41.5 38.64 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.803 1.192 . . . . 0.0 112.069 -171.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.76 139.08 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.522 1.129 . . . . 0.0 112.044 -171.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -121.31 120.27 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.051 1.74 . . . . 0.0 108.263 170.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -102.86 127.37 50.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.62 148.7 23.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.973 1.309 . . . . 0.0 112.09 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.46 159.86 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.141 1.776 . . . . 0.0 110.674 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.23 1.012 . . . . 0.0 110.817 177.758 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.81 155.55 40.29 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.322 1.449 . . . . 0.0 110.901 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.21 178.82 7.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.121 . . . . 0.0 112.785 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -123.18 138.09 54.73 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 111.958 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.49 144.46 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.866 1.666 . . . . 0.0 110.608 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.39 140.9 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.651 1.58 . . . . 0.0 111.621 168.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 126.375 1.87 . . . . 0.0 111.267 176.379 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.059 0.456 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -134.37 151.07 51.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.274 1.43 . . . . 0.0 112.339 172.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.0 mt -130.92 121.44 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.89 1.676 . . . . 0.0 108.201 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.63 171.09 32.95 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.314 0.959 . . . . 0.0 114.019 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.42 35.48 25.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.804 1.642 . . . . 0.0 114.236 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.42 130.88 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.459 1.504 . . . . 0.0 111.56 -174.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -88.83 -39.74 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.978 1.311 . . . . 0.0 112.201 169.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -157.44 161.32 38.93 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -133.72 139.13 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 127.302 2.241 . . . . 0.0 109.091 175.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -127.5 147.4 50.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.759 1.624 . . . . 0.0 111.212 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.45 117.24 28.93 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.135 1.374 . . . . 0.0 110.641 169.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -89.25 -175.0 4.62 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.153 1.781 . . . . 0.0 110.944 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.49 -9.58 44.56 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.83 12.44 0.18 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.63 161.97 37.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 0.0 111.97 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.17 158.69 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.244 0.618 . . . . 0.0 112.315 163.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -133.8 139.88 46.57 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.463 1.905 . . . . 0.0 110.174 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -125.98 134.6 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.909 2.083 . . . . 0.0 110.149 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.2 m -128.28 130.78 48.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.832 1.253 . . . . 0.0 112.418 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 p -98.03 166.4 11.45 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.61 -28.86 61.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.0 2.12 . . . . 0.0 113.283 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -100.82 18.26 19.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.466 1.506 . . . . 0.0 113.085 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t0 60.44 30.37 19.73 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.581 1.952 . . . . 0.0 114.506 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -77.66 147.37 35.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.882 160.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -130.87 138.43 49.82 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.401 1.08 . . . . 0.0 111.035 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -130.47 145.61 51.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.829 1.652 . . . . 0.0 109.497 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 142.82 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.821 0.849 . . . . 0.0 112.225 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.91 110.41 6.6 Favored Pre-proline 0 N--CA 1.471 0.62 0 C-N-CA 124.149 0.98 . . . . 0.0 110.884 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.05 146.76 53.03 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.82 2.346 . . . . 0.0 111.75 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.39 14.41 82.2 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.77 164.04 12.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.775 1.23 . . . . 0.0 112.297 171.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 162.75 34.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.343 2.257 . . . . 0.0 110.248 166.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.18 124.56 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.541 -0.725 . . . . 0.0 109.612 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.47 -48.41 1.84 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.377 0.989 . . . . 0.0 114.186 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -150.95 150.55 30.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.177 0.991 . . . . 0.0 112.512 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.07 135.27 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.107 1.363 . . . . 0.0 111.143 162.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -113.42 109.91 19.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 108.876 167.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.36 -40.88 73.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 0.0 111.318 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -65.03 -37.86 89.0 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.381 1.072 . . . . 0.0 112.479 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -85.34 -22.15 28.61 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.643 1.177 . . . . 0.0 113.613 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.75 41.87 55.26 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.306 0.955 . . . . 0.0 113.352 -177.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.21 136.76 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.011 1.324 . . . . 0.0 111.754 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -121.83 138.76 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.67 1.988 . . . . 0.0 109.33 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -124.64 137.32 54.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.414 1.086 . . . . 0.0 111.914 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.99 148.92 30.0 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.593 1.557 . . . . 0.0 111.918 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.73 159.65 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.929 1.692 . . . . 0.0 111.227 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.531 -0.731 . . . . 0.0 111.936 -177.809 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.701 0.286 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.89 -176.6 4.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 112.167 -170.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -117.61 144.61 45.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.908 0.883 . . . . 0.0 113.155 165.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -90.21 147.65 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.213 1.405 . . . . 0.0 110.506 167.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.85 133.97 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.799 1.239 . . . . 0.0 110.373 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.47 0.549 0 C-N-CA 125.408 1.483 . . . . 0.0 111.404 -176.176 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.25 147.38 50.66 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.028 1.331 . . . . 0.0 111.56 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 58.2 mt -132.82 122.06 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.164 1.385 . . . . 0.0 108.907 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.41 171.31 36.5 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.466 1.031 . . . . 0.0 114.999 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.0 33.9 22.69 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.245 1.818 . . . . 0.0 114.734 173.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.97 130.89 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.269 1.828 . . . . 0.0 111.851 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 43.3 mt -102.5 -22.98 13.95 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.976 1.31 . . . . 0.0 114.218 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.63 150.52 32.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 172.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.88 133.03 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.862 1.665 . . . . 0.0 108.95 170.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -141.28 131.77 25.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.155 0.982 . . . . 0.0 112.436 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.28 118.51 25.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.399 1.08 . . . . 0.0 110.412 168.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -82.12 -173.85 4.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.579 1.552 . . . . 0.0 111.239 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.04 -11.0 43.07 Favored Glycine 0 CA--C 1.54 1.64 0 O-C-N 120.873 -1.142 . . . . 0.0 115.772 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.56 22.95 0.14 Allowed Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.923 1.361 . . . . 0.0 115.368 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.38 162.57 37.64 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.263 1.425 . . . . 0.0 111.818 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.81 136.77 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.744 0.818 . . . . 0.0 110.673 164.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -116.08 147.96 40.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.595 1.958 . . . . 0.0 110.971 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -141.52 135.07 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.376 1.871 . . . . 0.0 109.557 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -133.47 133.57 42.43 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.863 0.756 . . . . 0.0 112.374 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -88.24 171.87 9.87 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.12 -26.89 18.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.466 2.306 . . . . 0.0 113.598 168.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.82 18.29 20.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.334 1.454 . . . . 0.0 112.305 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 59.55 20.16 8.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.577 1.951 . . . . 0.0 114.86 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.64 122.43 24.65 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 171.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -96.79 141.43 30.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.101 0.96 . . . . 0.0 112.189 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -132.01 148.08 52.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.75 1.62 . . . . 0.0 109.689 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.15 139.95 26.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.059 0.944 . . . . 0.0 112.323 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.98 107.95 6.92 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.623 1.169 . . . . 0.0 110.766 -170.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.61 149.03 54.59 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.677 2.251 . . . . 0.0 111.993 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 18.97 78.63 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 172.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.01 164.08 13.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.548 1.539 . . . . 0.0 111.995 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.4 167.57 21.83 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.025 2.13 . . . . 0.0 110.262 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.07 123.42 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.262 -0.899 . . . . 0.0 110.058 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.46 -38.53 4.21 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.809 1.671 . . . . 0.0 114.65 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 mtm105 -143.69 151.97 40.73 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.959 1.303 . . . . 0.0 111.926 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -125.45 124.91 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.924 1.689 . . . . 0.0 107.983 164.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -131.6 97.15 4.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 110.455 -170.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.5 HD22 ' H ' ' B' ' 53' ' ' LEU . 1.2 mm? -73.16 -27.24 61.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.423 1.089 . . . . 0.0 111.651 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -69.12 -50.58 46.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.363 1.465 . . . . 0.0 110.898 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -84.49 -19.83 32.66 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 113.284 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.07 45.6 19.53 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.749 1.166 . . . . 0.0 112.954 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.9 143.54 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.113 1.365 . . . . 0.0 111.6 -171.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -124.88 120.23 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.409 1.484 . . . . 0.0 108.868 167.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -98.82 123.07 42.83 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.048 0.939 . . . . 0.0 110.73 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mp -100.02 144.55 28.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.011 1.324 . . . . 0.0 109.971 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.66 157.76 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.996 1.719 . . . . 0.0 110.933 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 . . . . . 0 CA--C 1.539 0.522 0 O-C-N 121.009 -1.057 . . . . 0.0 112.254 -178.361 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 121.095 0.474 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.82 162.43 38.63 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 126.081 1.752 . . . . 0.0 110.437 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.28 179.12 6.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.196 1.398 . . . . 0.0 111.955 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -108.56 140.38 41.99 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.278 0.631 . . . . 0.0 111.252 159.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -85.72 139.09 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 123.786 0.834 . . . . 0.0 109.041 165.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -139.87 137.74 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.077 1.351 . . . . 0.0 110.061 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.468 0.463 0 C-N-CA 124.612 1.165 . . . . 0.0 111.977 -173.538 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -141.6 138.59 32.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.182 1.393 . . . . 0.0 111.326 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.01 123.07 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.756 1.622 . . . . 0.0 109.111 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.71 169.09 35.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.235 0.921 . . . . 0.0 114.937 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 55.78 33.3 21.19 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.17 1.788 . . . . 0.0 114.39 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.12 125.65 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.052 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.75 -33.72 12.18 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.887 0.875 . . . . 0.0 112.405 167.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -133.63 139.07 46.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.728 0.811 . . . . 0.0 113.06 -170.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.0 t -138.34 136.42 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.159 1.384 . . . . 0.0 108.727 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -141.67 141.4 33.35 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.061 1.345 . . . . 0.0 110.44 -170.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.55 134.47 54.83 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.387 1.075 . . . . 0.0 110.471 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -128.02 -165.84 1.54 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.983 2.113 . . . . 0.0 110.94 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.79 73.31 0.36 Allowed Glycine 0 CA--C 1.538 1.529 0 C-N-CA 125.176 1.369 . . . . 0.0 114.262 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.74 12.24 55.83 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 126.165 1.84 . . . . 0.0 115.622 175.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.95 161.13 43.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.872 1.269 . . . . 0.0 112.418 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.1 m -111.52 156.54 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.343 1.057 . . . . 0.0 112.172 169.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -134.47 139.16 45.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.613 1.965 . . . . 0.0 110.685 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -131.76 133.14 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.056 1.742 . . . . 0.0 110.244 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -129.06 137.39 51.25 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.598 1.09 . . . . 0.0 112.702 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -96.7 167.8 10.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.948 1.299 . . . . 0.0 114.322 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -55.59 -25.94 41.1 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.197 2.199 . . . . 0.0 113.706 170.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.05 19.65 20.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.45 1.5 . . . . 0.0 113.547 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t0 60.0 27.9 17.36 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.721 2.008 . . . . 0.0 114.998 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -76.55 146.92 38.05 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.964 -1.085 . . . . 0.0 110.219 160.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -130.11 138.41 50.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.206 1.003 . . . . 0.0 111.538 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -129.53 144.21 51.17 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.721 1.608 . . . . 0.0 109.288 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 144.04 32.32 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.342 0.657 . . . . 0.0 111.858 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -143.29 115.01 5.8 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 124.141 0.976 . . . . 0.0 111.101 -172.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.05 147.49 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.681 2.254 . . . . 0.0 112.032 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.14 13.36 82.8 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 173.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 mt -102.72 166.8 10.29 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.427 1.114 . . . . 0.0 112.198 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.21 158.41 43.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.716 2.006 . . . . 0.0 110.975 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.34 124.32 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.44 -50.96 1.63 Allowed Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.096 1.332 . . . . 0.0 113.93 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -146.53 150.08 34.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.564 1.546 . . . . 0.0 111.75 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.0 t -132.13 106.73 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.217 1.807 . . . . 0.0 107.85 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.52 102.8 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.957 1.303 . . . . 0.0 110.567 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.19 -47.82 63.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.736 -0.603 . . . . 0.0 111.741 -172.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.13 -40.47 90.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.926 0.89 . . . . 0.0 112.038 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t -71.82 -30.75 65.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.251 1.021 . . . . 0.0 112.81 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 40.21 37.27 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.504 1.05 . . . . 0.0 112.604 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -135.66 136.22 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.858 1.263 . . . . 0.0 111.828 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -123.78 120.53 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.682 1.593 . . . . 0.0 109.193 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.1 t -97.43 124.86 41.76 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.96 1.304 . . . . 0.0 110.715 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.54 144.46 41.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.647 1.179 . . . . 0.0 110.847 173.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.48 160.7 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.102 1.361 . . . . 0.0 111.696 -168.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 124.573 1.149 . . . . 0.0 110.562 179.689 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptm . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 -177.46 5.07 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.367 1.067 . . . . 0.0 112.591 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -123.9 141.44 52.03 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.373 1.069 . . . . 0.0 111.394 165.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.9 143.75 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.857 0.863 . . . . 0.0 110.179 170.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.81 140.66 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.657 1.583 . . . . 0.0 111.118 171.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 126.371 1.868 . . . . 0.0 111.086 178.511 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.85 0.357 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -140.13 152.76 46.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.634 1.174 . . . . 0.0 112.579 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.4 mt -127.27 122.91 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.774 1.63 . . . . 0.0 108.512 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.48 165.56 32.53 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.607 1.099 . . . . 0.0 114.354 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.06 39.13 30.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.312 1.845 . . . . 0.0 113.675 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 94.5 t -70.86 129.05 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.694 1.198 . . . . 0.0 110.717 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -99.05 -34.36 10.43 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.59 1.556 . . . . 0.0 111.943 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -159.22 154.23 25.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.773 1.229 . . . . 0.0 113.694 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -132.86 143.07 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.676 1.99 . . . . 0.0 109.999 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -136.97 132.05 33.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.832 1.253 . . . . 0.0 111.528 -171.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.79 124.64 39.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.065 0.946 . . . . 0.0 110.472 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -107.09 -176.18 3.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.72 1.608 . . . . 0.0 110.757 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.84 81.74 0.12 Allowed Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.077 -1.015 . . . . 0.0 113.299 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 23.41 40.48 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.054 1.311 . . . . 0.0 114.995 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.71 165.9 35.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.798 1.239 . . . . 0.0 112.696 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.77 145.98 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.088 1.355 . . . . 0.0 111.43 168.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -119.73 148.31 43.56 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.988 1.715 . . . . 0.0 110.698 168.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.51 129.05 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.968 1.707 . . . . 0.0 109.426 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.9 m -124.91 132.25 53.32 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.7 p -90.81 164.14 14.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.072 1.349 . . . . 0.0 113.281 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.87 -18.66 57.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 113.449 172.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -107.2 22.25 16.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.768 1.627 . . . . 0.0 113.092 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.75 13.98 6.9 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.507 2.323 . . . . 0.0 116.334 174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.63 144.4 41.75 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.947 -1.095 . . . . 0.0 110.865 163.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -129.99 144.19 51.2 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.141 1.377 . . . . 0.0 111.532 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -129.69 149.2 51.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 126.511 1.924 . . . . 0.0 110.278 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 142.79 34.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.973 0.909 . . . . 0.0 112.551 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -140.0 95.09 8.66 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.53 1.532 . . . . 0.0 111.743 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -67.08 138.67 48.29 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.623 2.215 . . . . 0.0 111.431 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.45 2.91 88.86 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.664 1.126 . . . . 0.0 115.292 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 mt -99.01 162.37 13.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.841 1.32 . . . . 0.0 112.172 166.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 156.57 47.26 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.752 2.421 . . . . 0.0 109.605 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.1 mt -71.63 121.26 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.794 -1.191 . . . . 0.0 108.789 173.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.72 -60.57 1.27 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.378 0.99 . . . . 0.0 112.835 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -145.03 155.59 43.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.583 1.153 . . . . 0.0 112.807 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.95 134.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 127.463 2.305 . . . . 0.0 108.677 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -140.03 100.93 4.04 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.114 1.365 . . . . 0.0 109.471 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 65.7 mt -80.47 -18.14 49.54 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.694 1.198 . . . . 0.0 112.93 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -68.95 -44.7 72.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.287 1.435 . . . . 0.0 109.849 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -76.38 -32.52 58.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.594 1.158 . . . . 0.0 113.224 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.57 34.43 22.53 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.413 1.483 . . . . 0.0 113.237 -174.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.84 141.15 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.976 1.31 . . . . 0.0 112.171 -169.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -122.19 126.55 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.89 1.676 . . . . 0.0 108.772 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 42.2 t -110.26 126.21 53.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.582 1.153 . . . . 0.0 111.247 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.9 mt -96.57 151.68 19.36 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.326 1.05 . . . . 0.0 112.128 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.29 162.06 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.853 1.661 . . . . 0.0 111.315 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 CA--C 1.538 0.507 0 C-N-CA 123.683 0.793 . . . . 0.0 111.872 177.818 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 133.68 55.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.017 0.927 . . . . 0.0 111.871 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.44 -174.75 2.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.714 1.605 . . . . 0.0 112.201 -173.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.64 139.2 52.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.054 0.942 . . . . 0.0 111.307 159.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 t -91.14 145.07 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.645 1.178 . . . . 0.0 110.198 173.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.26 136.96 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.513 1.525 . . . . 0.0 111.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 126.34 1.856 . . . . 0.0 111.702 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.707 0.289 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -135.0 147.21 49.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.675 1.19 . . . . 0.0 111.58 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -128.67 118.16 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.404 1.482 . . . . 0.0 108.472 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.01 166.7 37.27 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.381 0.991 . . . . 0.0 114.424 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 54.19 36.75 25.72 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.578 1.551 . . . . 0.0 114.356 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -76.29 119.09 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.011 1.324 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tt -88.91 -33.95 17.1 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.586 1.154 . . . . 0.0 112.227 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -153.36 155.44 36.44 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.857 0.863 . . . . 0.0 112.698 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.1 t -136.62 142.26 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.826 1.651 . . . . 0.0 110.334 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 mtm105 -137.06 154.63 50.29 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.283 1.833 . . . . 0.0 111.442 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -127.23 135.87 51.23 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.584 1.554 . . . . 0.0 111.213 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -107.98 7.06 27.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.801 1.641 . . . . 0.0 113.988 -168.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.86 34.95 88.76 Favored Glycine 0 CA--C 1.545 1.923 0 C-N-CA 123.927 0.775 . . . . 0.0 113.224 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.87 -19.09 0.05 OUTLIER Glycine 0 CA--C 1.539 1.561 0 C-N-CA 126.192 1.853 . . . . 0.0 113.869 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.94 162.84 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.635 1.974 . . . . 0.0 110.273 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 m -107.0 160.2 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-O 121.245 0.545 . . . . 0.0 111.803 160.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -134.05 135.36 43.26 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.113 2.165 . . . . 0.0 109.397 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.9 t -129.73 118.33 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 126.319 1.848 . . . . 0.0 109.392 -171.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.7 m -117.93 131.68 56.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.56 0.744 . . . . 0.0 112.002 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -83.1 166.79 18.41 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.468 1.107 . . . . 0.0 113.783 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.0 tp -54.21 -21.0 7.84 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.503 2.321 . . . . 0.0 113.375 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.49 18.09 21.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.283 1.833 . . . . 0.0 113.324 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.31 15.39 8.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.344 2.258 . . . . 0.0 115.897 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -76.75 142.38 40.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.929 -1.107 . . . . 0.0 110.352 166.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -125.37 129.47 49.99 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.374 0.67 . . . . 0.0 112.067 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -103.86 153.88 20.26 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.375 1.87 . . . . 0.0 110.005 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.97 35.83 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.881 0.872 . . . . 0.0 112.096 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.28 101.16 7.58 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.31 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.11 146.25 97.86 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.857 3.038 . . . . 0.0 113.753 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.05 3.9 70.54 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.032 1.301 . . . . 0.0 116.195 173.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.71 166.07 11.66 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.906 1.283 . . . . 0.0 112.083 170.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.01 161.44 37.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.847 2.459 . . . . 0.0 110.309 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.37 119.77 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.367 -0.833 . . . . 0.0 109.306 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.56 -40.76 4.64 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.99 1.281 . . . . 0.0 114.051 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -148.63 156.04 41.88 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.437 1.095 . . . . 0.0 112.383 172.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -130.68 109.56 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.08 1.752 . . . . 0.0 108.096 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -107.17 87.09 2.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.646 1.179 . . . . 0.0 109.931 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 53' ' ' LEU . 2.4 mm? -61.33 -38.48 87.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.935 0.894 . . . . 0.0 112.191 -176.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.53 -34.58 78.56 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.934 1.694 . . . . 0.0 113.182 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 t -91.12 -29.4 17.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.722 1.209 . . . . 0.0 113.806 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.15 35.0 28.26 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.704 1.145 . . . . 0.0 112.947 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.11 140.61 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.845 1.258 . . . . 0.0 111.796 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -122.76 126.47 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.549 1.54 . . . . 0.0 109.227 173.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -101.39 137.99 39.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.589 1.155 . . . . 0.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.74 143.81 43.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.934 1.294 . . . . 0.0 111.327 174.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 162.22 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.407 1.883 . . . . 0.0 110.987 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 N--CA 1.472 0.655 0 O-C-N 121.525 -0.734 . . . . 0.0 112.028 179.645 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.7 ptm . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.37 -178.82 5.46 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.281 -174.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -123.06 149.06 44.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.799 1.64 . . . . 0.0 111.5 165.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.32 143.62 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.062 1.345 . . . . 0.0 110.325 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -134.45 140.98 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.571 1.549 . . . . 0.0 111.411 172.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.47 0.564 0 C-N-CA 126.199 1.8 . . . . 0.0 110.798 178.167 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -135.66 145.18 46.51 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.847 1.259 . . . . 0.0 111.817 -175.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.98 121.38 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.427 1.491 . . . . 0.0 108.82 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.8 168.89 33.32 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.431 1.015 . . . . 0.0 113.631 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 56.16 36.33 27.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.02 1.728 . . . . 0.0 114.518 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.36 129.25 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.63 1.572 . . . . 0.0 110.978 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.17 -23.0 13.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.453 1.101 . . . . 0.0 113.654 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -158.3 153.84 26.15 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 172.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 56.7 t -134.94 140.69 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.256 2.222 . . . . 0.0 109.16 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -136.73 147.58 46.8 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.716 1.206 . . . . 0.0 111.709 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 124.68 50.62 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.615 1.166 . . . . 0.0 111.17 171.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -88.47 172.83 9.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.732 1.613 . . . . 0.0 111.145 167.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 48.63 1.22 Allowed Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.183 1.373 . . . . 0.0 114.131 173.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.99 3.43 0.21 Allowed Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.339 1.447 . . . . 0.0 116.182 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.31 162.9 37.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.677 1.739 . . . . 0.0 112.692 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -112.3 143.59 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.616 1.166 . . . . 0.0 111.572 167.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -122.37 145.9 47.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.634 2.373 . . . . 0.0 110.777 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.24 137.01 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.986 1.714 . . . . 0.0 110.478 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.0 m -131.52 128.18 38.8 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.205 1.002 . . . . 0.0 112.007 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.6 p -90.18 169.99 10.68 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -52.98 -29.16 27.4 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.945 2.098 . . . . 0.0 113.781 168.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -99.11 18.58 17.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.256 1.423 . . . . 0.0 112.969 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.29 3.0 p30 56.24 20.07 4.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 129.208 3.003 . . . . 0.0 115.227 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.77 134.84 46.45 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.968 168.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -109.94 135.88 50.1 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.397 1.079 . . . . 0.0 111.795 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -123.16 146.82 47.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.65 1.58 . . . . 0.0 109.196 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.94 142.95 30.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 112.49 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -139.63 107.19 7.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.988 1.315 . . . . 0.0 111.049 -169.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.79 144.87 49.69 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.961 2.441 . . . . 0.0 111.686 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.62 80.52 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 124.266 0.936 . . . . 0.0 114.976 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 40.2 mt -106.68 162.17 14.0 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.98 1.39 . . . . 0.0 112.295 170.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 155.84 48.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.553 1.941 . . . . 0.0 110.666 168.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 51.5 mt -74.69 119.83 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.07 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.96 -42.13 2.7 Favored Glycine 0 N--CA 1.474 1.222 0 C-N-CA 124.456 1.026 . . . . 0.0 114.384 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -149.91 145.32 26.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.83 1.252 . . . . 0.0 111.743 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -139.79 105.33 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.557 1.943 . . . . 0.0 108.606 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -110.37 112.91 25.16 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.082 0.953 . . . . 0.0 109.966 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 54.9 mt -86.47 -26.62 24.55 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -66.88 -42.46 85.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.539 1.135 . . . . 0.0 111.972 176.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 84.8 p -86.89 -21.44 26.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.409 1.084 . . . . 0.0 113.601 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.76 46.11 25.23 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.732 1.158 . . . . 0.0 112.864 -178.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -129.28 133.29 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.213 1.005 . . . . 0.0 111.471 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -120.78 129.2 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.935 1.694 . . . . 0.0 108.576 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.37 128.43 55.51 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.222 1.409 . . . . 0.0 110.776 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -98.72 151.11 21.1 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.53 1.132 . . . . 0.0 111.754 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -128.97 160.82 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 126.03 1.732 . . . . 0.0 111.019 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 124.041 0.936 . . . . 0.0 112.037 -176.947 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 121.652 0.739 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -150.4 156.36 41.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.436 2.294 . . . . 0.0 109.481 170.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.74 -178.51 4.06 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.351 1.06 . . . . 0.0 112.729 -170.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -121.96 134.42 54.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.064 1.345 . . . . 0.0 111.536 165.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.6 t -92.44 143.19 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.55 1.14 . . . . 0.0 109.878 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -140.93 143.23 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 126.795 2.038 . . . . 0.0 110.872 178.464 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -142.22 153.25 43.84 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 112.537 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.3 mt -131.11 123.27 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.714 1.605 . . . . 0.0 108.241 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.02 168.4 32.59 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.57 1.081 . . . . 0.0 113.547 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 55.32 36.77 27.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.672 1.589 . . . . 0.0 113.92 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.2 125.93 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.143 1.777 . . . . 0.0 111.783 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tt -96.12 -36.02 11.13 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 125.168 1.387 . . . . 0.0 111.907 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -151.59 156.08 39.74 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.146 0.979 . . . . 0.0 113.454 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -139.62 140.86 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.611 1.964 . . . . 0.0 109.912 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 mtp85 -130.52 137.66 49.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.916 1.687 . . . . 0.0 112.111 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.39 120.59 33.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 109.82 161.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -94.59 -179.65 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.125 1.77 . . . . 0.0 110.955 172.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.8 86.63 0.12 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 120.996 -1.065 . . . . 0.0 111.813 168.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 21.7 43.92 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.872 1.701 . . . . 0.0 115.594 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.86 165.14 37.38 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.228 1.514 . . . . 0.0 112.776 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -114.84 144.28 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.724 1.21 . . . . 0.0 111.11 166.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -123.89 145.92 48.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.066 1.746 . . . . 0.0 110.937 171.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.9 t -135.59 136.14 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.376 1.87 . . . . 0.0 109.536 -173.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -130.82 126.72 37.02 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.888 0.875 . . . . 0.0 111.438 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -78.21 166.33 22.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.079 0.952 . . . . 0.0 113.014 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.81 -31.01 66.19 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.685 1.194 . . . . 0.0 111.844 172.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -86.66 13.65 8.29 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.154 1.782 . . . . 0.0 113.871 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 63.01 20.37 12.25 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.873 2.069 . . . . 0.0 115.482 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.23 127.93 34.3 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.353 -1.467 . . . . 0.0 110.122 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -102.61 141.69 35.01 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.613 1.165 . . . . 0.0 112.356 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -135.18 149.7 49.99 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.913 1.685 . . . . 0.0 110.228 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.87 143.23 33.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.532 1.133 . . . . 0.0 112.493 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -141.23 103.82 6.08 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.118 1.367 . . . . 0.0 111.423 -172.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 147.57 59.25 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 122.5 2.133 . . . . 0.0 112.102 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 6.14 89.34 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.384 1.469 . . . . 0.0 114.84 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.1 mt -106.6 163.78 12.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.714 1.206 . . . . 0.0 112.44 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.55 160.55 39.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.27 2.228 . . . . 0.0 110.19 167.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.74 122.05 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.394 -0.817 . . . . 0.0 108.844 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.6 -72.82 1.18 Allowed Glycine 0 CA--C 1.522 0.512 0 C-N-CA 124.444 1.021 . . . . 0.0 113.097 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -136.99 143.31 42.72 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.226 1.01 . . . . 0.0 111.833 -174.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.28 111.76 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.819 1.648 . . . . 0.0 109.473 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.8 109.78 21.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.009 1.324 . . . . 0.0 109.557 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -51.48 17.53 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.904 -0.497 . . . . 0.0 111.35 -175.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -23.55 65.62 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -91.97 -17.87 24.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.181 1.392 . . . . 0.0 113.821 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.02 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.381 1.467 . . . . 0.0 113.833 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.41 136.56 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.761 1.28 . . . . 0.0 111.889 -175.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.4 mt -127.03 112.98 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.665 1.586 . . . . 0.0 109.327 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.2 m -97.57 124.72 41.93 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.039 1.335 . . . . 0.0 111.101 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -88.83 156.33 19.01 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.998 0.919 . . . . 0.0 112.074 174.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.94 162.27 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.016 1.727 . . . . 0.0 111.213 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 123.941 0.896 . . . . 0.0 111.293 178.616 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ppp? . . . . . 0 C--O 1.237 0.403 0 CA-C-O 121.296 0.569 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.96 173.32 11.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.203 1.001 . . . . 0.0 112.42 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -103.2 143.8 32.15 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.011 0.924 . . . . 0.0 110.534 158.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t -98.89 138.78 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.154 . . . . 0.0 109.682 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -134.95 142.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.747 1.219 . . . . 0.0 111.762 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 126.175 1.79 . . . . 0.0 110.65 176.248 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -140.41 140.37 35.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.022 1.329 . . . . 0.0 111.489 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mt -126.01 122.07 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 125.419 1.488 . . . . 0.0 108.29 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.84 168.44 31.58 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.592 1.092 . . . . 0.0 114.001 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 57.31 35.16 25.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.293 1.437 . . . . 0.0 114.571 171.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -74.63 129.18 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.102 1.761 . . . . 0.0 111.172 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -97.14 -26.22 15.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.937 1.295 . . . . 0.0 112.629 174.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -156.14 153.58 29.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -137.34 140.17 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.487 1.915 . . . . 0.0 109.834 176.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -134.84 127.87 31.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.781 1.233 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.21 131.09 35.49 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.8 0.84 . . . . 0.0 110.119 159.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -111.54 13.31 21.34 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.88 1.272 . . . . 0.0 113.301 -168.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.35 45.45 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.716 1.151 . . . . 0.0 114.302 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.1 -13.96 0.11 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.621 1.581 . . . . 0.0 114.342 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.44 168.88 22.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.845 2.058 . . . . 0.0 110.037 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.13 159.95 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 162.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -131.96 144.26 50.69 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.058 2.143 . . . . 0.0 110.165 176.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -134.92 131.72 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.868 2.067 . . . . 0.0 109.693 -175.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 91.7 m -131.45 130.8 42.94 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.727 0.694 . . . . 0.0 112.327 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.6 p -102.22 165.4 11.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.348 1.459 . . . . 0.0 113.135 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.84 -10.97 42.83 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -81.02 3.58 22.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.88 1.272 . . . . 0.0 113.397 174.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 t0 61.71 19.74 10.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.678 1.991 . . . . 0.0 113.693 -170.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -89.07 142.34 27.73 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.992 1.317 . . . . 0.0 111.463 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -126.3 142.3 51.58 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.464 1.506 . . . . 0.0 111.026 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -129.43 145.89 51.36 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.412 1.885 . . . . 0.0 110.099 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.84 143.96 35.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.712 0.805 . . . . 0.0 112.776 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -142.26 104.15 5.57 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 124.553 1.141 . . . . 0.0 111.275 -170.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.73 146.99 95.28 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.5 2.8 . . . . 0.0 113.347 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.62 4.33 80.85 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.855 1.102 . . . . 0.0 115.855 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.61 166.75 11.52 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.238 1.519 . . . . 0.0 112.836 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.68 160.98 40.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -77.17 119.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.529 -0.732 . . . . 0.0 109.138 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.86 -42.64 3.78 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.338 0.97 . . . . 0.0 114.044 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -150.37 147.93 28.19 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.39 1.076 . . . . 0.0 111.916 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.65 132.93 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.015 1.726 . . . . 0.0 109.925 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.59 109.71 11.6 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.98 1.712 . . . . 0.0 109.988 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.42 -41.18 48.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.08 0.952 . . . . 0.0 112.454 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -62.5 -48.86 77.73 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.29 1.036 . . . . 0.0 111.094 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -75.06 -23.4 58.07 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.65 1.18 . . . . 0.0 113.274 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.35 46.06 43.91 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.856 1.217 . . . . 0.0 113.01 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.62 139.1 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.691 1.196 . . . . 0.0 112.01 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -128.84 123.74 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.147 1.779 . . . . 0.0 108.46 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -104.89 125.87 51.37 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.062 0.945 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.38 150.03 20.72 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.9 1.28 . . . . 0.0 111.573 173.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.14 157.72 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.09 1.756 . . . . 0.0 110.644 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 123.872 0.869 . . . . 0.0 109.148 173.639 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 CA--C 1.546 0.82 0 CA-C-O 121.747 0.784 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 167.79 21.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 110.791 165.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.15 175.04 9.9 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.969 1.308 . . . . 0.0 111.461 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.58 141.78 35.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.257 0.623 . . . . 0.0 111.238 158.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.79 142.67 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.965 0.906 . . . . 0.0 109.316 162.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 p -132.57 138.44 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.281 1.432 . . . . 0.0 110.7 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 125.474 1.51 . . . . 0.0 111.568 -177.055 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 121.008 0.432 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.76 150.39 50.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.961 1.305 . . . . 0.0 111.81 171.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.5 mt -127.76 122.34 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.864 1.666 . . . . 0.0 108.327 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.93 166.21 32.38 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.194 0.902 . . . . 0.0 113.739 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 54.4 36.41 25.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.103 1.361 . . . . 0.0 113.889 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.13 129.4 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.084 1.354 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.0 -39.19 8.26 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.3 1.84 . . . . 0.0 111.075 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -155.25 161.99 41.0 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.65 138.19 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.556 1.943 . . . . 0.0 109.661 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -127.8 127.74 44.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.727 1.611 . . . . 0.0 110.9 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.12 138.3 31.54 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.835 0.854 . . . . 0.0 111.981 172.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -107.6 173.4 6.34 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.269 1.828 . . . . 0.0 110.597 168.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.15 45.64 1.17 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.874 1.226 . . . . 0.0 114.247 175.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.75 11.36 0.44 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.46 1.505 . . . . 0.0 115.881 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.19 168.9 25.85 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.432 1.616 . . . . 0.0 112.221 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.68 143.13 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.629 1.172 . . . . 0.0 111.421 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -120.89 143.69 48.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.705 2.002 . . . . 0.0 110.482 173.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.73 134.32 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.816 1.647 . . . . 0.0 109.728 -171.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -125.35 131.21 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.321 1.048 . . . . 0.0 111.109 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -90.33 166.68 13.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.125 0.97 . . . . 0.0 113.132 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.97 -23.36 53.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.644 1.977 . . . . 0.0 112.936 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -107.5 23.02 15.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.15 1.78 . . . . 0.0 113.071 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 62.46 20.14 11.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.897 2.079 . . . . 0.0 115.665 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -74.39 145.39 43.79 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.712 -1.243 . . . . 0.0 110.321 165.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -123.78 139.98 53.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.162 0.985 . . . . 0.0 111.571 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -132.39 147.96 52.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.564 1.545 . . . . 0.0 109.64 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 143.11 31.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.324 0.65 . . . . 0.0 112.386 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.68 103.85 5.86 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.871 1.268 . . . . 0.0 111.756 -168.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.5 145.93 54.24 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.002 2.468 . . . . 0.0 112.218 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.2 -3.07 87.48 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.542 1.544 . . . . 0.0 114.416 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.6 mt -94.21 162.91 13.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.798 1.299 . . . . 0.0 113.17 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.06 157.11 47.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.706 2.403 . . . . 0.0 110.074 165.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.57 114.89 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.2 -73.64 1.28 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.33 0.967 . . . . 0.0 112.813 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -141.24 148.31 39.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.808 1.243 . . . . 0.0 111.518 -171.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.78 139.51 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.568 1.547 . . . . 0.0 109.979 -169.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -143.38 99.28 3.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.417 1.487 . . . . 0.0 110.05 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -73.51 -28.99 62.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.146 1.378 . . . . 0.0 112.232 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -66.15 -40.49 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.015 1.726 . . . . 0.0 111.319 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -83.04 -30.16 28.28 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.073 1.349 . . . . 0.0 113.066 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.13 40.86 8.34 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.219 1.39 . . . . 0.0 113.177 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -131.39 139.59 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.981 1.312 . . . . 0.0 111.974 -169.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.8 mt -125.53 120.0 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 126.485 1.914 . . . . 0.0 108.59 170.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -105.19 121.74 44.47 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.036 1.335 . . . . 0.0 110.902 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -95.1 147.67 23.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.53 1.132 . . . . 0.0 110.964 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.95 157.7 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.233 1.413 . . . . 0.0 111.33 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 N--CA 1.475 0.804 0 C-N-CA 123.477 0.711 . . . . 0.0 110.78 179.468 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 ppp? . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 120.994 0.426 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.66 178.53 7.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.848 0.859 . . . . 0.0 112.345 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -123.31 141.69 51.72 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 125.088 1.355 . . . . 0.0 111.564 163.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.69 142.71 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.816 0.846 . . . . 0.0 109.746 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.7 136.53 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.676 1.19 . . . . 0.0 111.232 173.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.639 0 C-N-CA 125.558 1.543 . . . . 0.0 111.953 -177.167 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.901 0.381 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -123.17 146.53 47.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.962 1.305 . . . . 0.0 111.374 169.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 75.7 mt -129.29 113.41 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.546 1.538 . . . . 0.0 109.037 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.78 173.98 40.55 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.421 1.01 . . . . 0.0 114.853 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 56.31 34.45 24.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.417 1.887 . . . . 0.0 114.156 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.27 129.54 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.507 1.123 . . . . 0.0 110.941 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -100.52 -27.3 13.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.11 147.83 26.27 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.194 0.907 . . . . 0.0 113.185 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -140.36 143.63 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.192 1.797 . . . . 0.0 109.604 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -136.11 130.3 33.15 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.594 1.158 . . . . 0.0 111.258 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.83 129.69 34.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.431 0.634 . . . . 0.0 109.662 157.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.34 22.12 14.55 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.696 1.998 . . . . 0.0 111.703 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.45 -80.88 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.066 1.794 . . . . 0.0 111.755 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.58 90.51 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.367 0.984 . . . . 0.0 115.16 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.08 171.72 19.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.773 1.629 . . . . 0.0 110.856 -174.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 m -119.26 161.86 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.231 0.612 . . . . 0.0 112.545 158.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -131.05 147.52 52.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.213 2.205 . . . . 0.0 111.411 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 83.6 t -136.54 129.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.566 1.946 . . . . 0.0 108.907 -173.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.7 m -128.35 133.13 48.6 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.442 1.019 . . . . 0.0 112.395 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.7 p -91.53 167.14 12.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.424 1.489 . . . . 0.0 114.14 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -51.87 -26.95 11.2 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.771 2.428 . . . . 0.0 113.954 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -101.24 15.05 30.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.683 1.593 . . . . 0.0 113.92 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t0 61.78 14.95 6.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.997 2.119 . . . . 0.0 115.143 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -78.74 147.56 33.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.663 -1.273 . . . . 0.0 110.381 162.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.73 159.19 39.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.836 0.854 . . . . 0.0 113.248 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -132.55 152.57 51.54 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.088 2.155 . . . . 0.0 109.661 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 137.41 28.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.178 0.991 . . . . 0.0 112.145 -175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.91 98.69 7.67 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.361 1.065 . . . . 0.0 111.997 -171.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -61.0 144.54 99.59 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.262 2.641 . . . . 0.0 112.428 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.52 82.46 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 115.375 0.91 . . . . 0.0 115.375 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 81.1 mt -113.21 161.82 16.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 0.0 111.715 170.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.93 44.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.862 2.065 . . . . 0.0 110.901 172.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.9 121.34 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.318 -0.864 . . . . 0.0 109.685 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.62 -40.91 3.75 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.056 1.312 . . . . 0.0 113.828 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -150.42 145.53 26.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.634 1.174 . . . . 0.0 111.972 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -128.19 126.53 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.704 1.602 . . . . 0.0 108.305 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -131.92 106.88 8.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.201 1.0 . . . . 0.0 110.599 -173.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.12 -21.64 39.7 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.462 1.105 . . . . 0.0 112.355 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -64.52 -45.43 87.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 110.766 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.2 t -92.56 -26.5 17.87 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.666 1.187 . . . . 0.0 113.287 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.88 44.93 13.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.015 0.817 . . . . 0.0 112.223 -172.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.3 t -131.02 140.07 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.627 1.171 . . . . 0.0 112.009 -172.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.6 mt -123.89 113.27 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.446 . . . . 0.0 108.062 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -98.62 129.25 45.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.187 0.995 . . . . 0.0 111.48 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.46 151.59 21.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.472 1.109 . . . . 0.0 112.695 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.91 157.75 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.324 1.85 . . . . 0.0 111.296 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 112.009 -178.432 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.7 m . . . . . 0 CA--C 1.541 0.616 0 CA-C-O 121.414 0.626 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.19 171.17 20.25 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.701 1.6 . . . . 0.0 111.142 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.75 -170.5 2.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.834 1.254 . . . . 0.0 112.391 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -122.86 132.43 54.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 110.939 161.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.74 143.89 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.106 1.363 . . . . 0.0 109.851 170.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -137.09 140.83 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.974 0.909 . . . . 0.0 111.878 169.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 126.942 2.097 . . . . 0.0 110.673 -178.279 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.71 134.21 30.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.863 1.265 . . . . 0.0 110.557 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.14 108.44 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.963 1.305 . . . . 0.0 109.3 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.4 164.95 47.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.521 1.058 . . . . 0.0 113.978 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 55.45 35.12 24.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.865 1.666 . . . . 0.0 114.713 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -69.1 125.78 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.047 -1.033 . . . . 0.0 110.217 170.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.2 mt -90.11 -35.46 15.42 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.68 0.792 . . . . 0.0 111.608 171.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -155.75 156.36 34.69 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 t -139.69 150.83 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.339 1.855 . . . . 0.0 110.081 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -127.53 144.22 51.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.371 1.868 . . . . 0.0 110.782 170.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.88 129.72 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.131 0.972 . . . . 0.0 110.813 166.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -102.74 172.56 6.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.351 1.86 . . . . 0.0 110.548 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.87 61.06 0.95 Allowed Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.12 1.343 . . . . 0.0 113.923 174.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.66 5.32 1.73 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.907 1.718 . . . . 0.0 115.895 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.95 167.54 27.75 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.587 1.694 . . . . 0.0 112.856 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -124.79 154.42 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.044 0.938 . . . . 0.0 112.988 162.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -133.53 122.27 23.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.487 1.915 . . . . 0.0 110.098 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -110.73 136.72 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.066 2.146 . . . . 0.0 110.122 -173.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -127.75 127.84 44.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.62 0.768 . . . . 0.0 112.436 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -93.03 167.22 11.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.937 1.295 . . . . 0.0 113.722 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -53.27 -30.08 36.54 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.182 1.793 . . . . 0.0 113.255 171.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -85.23 10.08 13.38 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.749 1.62 . . . . 0.0 113.381 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 62.81 15.38 8.15 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.937 2.095 . . . . 0.0 114.902 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.33 139.5 39.78 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.322 -0.861 . . . . 0.0 111.275 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -113.93 138.12 50.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.066 1.347 . . . . 0.0 111.319 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -133.42 124.93 27.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.204 1.402 . . . . 0.0 109.751 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.91 139.98 50.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.848 0.859 . . . . 0.0 112.167 -173.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -138.51 93.6 11.06 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.11 1.364 . . . . 0.0 111.549 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -61.89 145.58 96.9 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.688 2.925 . . . . 0.0 112.445 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.2 86.75 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.792 1.187 . . . . 0.0 115.087 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.9 mt -105.94 160.33 15.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.895 1.278 . . . . 0.0 111.914 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.78 160.43 39.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.96 2.504 . . . . 0.0 110.558 172.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.2 115.49 15.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.442 0.697 . . . . 0.0 109.328 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.65 -38.47 4.69 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.086 1.327 . . . . 0.0 114.037 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -143.23 145.31 32.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.44 1.496 . . . . 0.0 111.731 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.69 121.09 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.783 1.233 . . . . 0.0 108.462 160.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -110.44 95.68 5.72 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.762 1.625 . . . . 0.0 109.842 174.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.11 -38.17 87.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.844 0.858 . . . . 0.0 111.522 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -66.01 -40.47 91.11 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.558 1.543 . . . . 0.0 112.988 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -88.94 -22.33 23.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.45 44.6 32.95 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.257 0.932 . . . . 0.0 113.043 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -134.92 142.2 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.732 1.213 . . . . 0.0 112.1 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.25 134.42 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.884 1.674 . . . . 0.0 108.1 170.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -121.27 132.24 54.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.021 0.928 . . . . 0.0 111.515 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.53 143.15 33.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.596 1.158 . . . . 0.0 111.72 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.42 157.52 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.129 1.772 . . . . 0.0 111.649 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 123.802 0.841 . . . . 0.0 112.574 -176.721 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.843 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.2 -176.65 3.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.531 1.133 . . . . 0.0 112.101 -172.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -113.39 146.05 40.13 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.791 0.836 . . . . 0.0 111.835 159.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.49 141.83 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 109.402 167.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.89 139.9 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.182 1.393 . . . . 0.0 110.659 167.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 124.861 1.264 . . . . 0.0 111.83 179.439 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -123.36 146.68 47.76 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.37 1.468 . . . . 0.0 112.139 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.6 mt -130.15 120.56 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.357 1.463 . . . . 0.0 108.427 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.97 165.64 30.65 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.094 0.854 . . . . 0.0 114.354 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 52.05 42.48 30.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.968 1.707 . . . . 0.0 114.401 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.4 123.11 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.126 1.771 . . . . 0.0 110.854 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.52 -33.32 20.34 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.267 1.427 . . . . 0.0 112.693 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -162.81 149.5 12.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.218 1.007 . . . . 0.0 113.207 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.8 t -132.2 133.89 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.897 2.079 . . . . 0.0 110.298 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.62 137.94 51.8 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.962 1.705 . . . . 0.0 110.747 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.11 124.19 41.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.462 0.705 . . . . 0.0 110.431 161.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -89.49 179.16 6.12 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.673 1.589 . . . . 0.0 111.42 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.73 -13.26 50.94 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.787 -1.195 . . . . 0.0 115.505 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.86 24.73 0.26 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.188 1.375 . . . . 0.0 115.035 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.35 169.28 24.36 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.84 1.32 . . . . 0.0 112.313 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -121.15 144.47 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.519 1.127 . . . . 0.0 110.962 167.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -122.09 145.81 47.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.615 1.966 . . . . 0.0 110.964 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.81 131.05 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.713 1.605 . . . . 0.0 110.24 -173.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -123.57 132.51 53.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.214 1.006 . . . . 0.0 112.068 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -100.75 166.5 10.84 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.618 1.167 . . . . 0.0 114.116 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 tp -53.93 -26.07 23.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.29 2.236 . . . . 0.0 113.962 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -103.53 21.96 15.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.107 1.363 . . . . 0.0 113.216 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t0 60.88 23.55 13.58 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.67 1.988 . . . . 0.0 115.01 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.29 148.27 27.47 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.966 -1.084 . . . . 0.0 110.629 166.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -128.6 136.41 50.66 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.489 1.116 . . . . 0.0 111.253 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -123.9 146.36 48.49 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.921 1.688 . . . . 0.0 109.591 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.39 140.68 37.49 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.875 0.87 . . . . 0.0 112.645 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.56 107.95 7.17 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 125.095 1.358 . . . . 0.0 111.637 -169.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.8 146.45 48.19 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.851 2.367 . . . . 0.0 112.248 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.74 4.07 84.67 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.421 1.486 . . . . 0.0 115.378 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 mt -91.07 164.21 14.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.751 1.275 . . . . 0.0 112.438 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.12 156.59 45.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.238 2.215 . . . . 0.0 110.615 165.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -73.22 110.39 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.26 -40.82 4.43 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.76 1.171 . . . . 0.0 114.203 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -144.87 148.33 33.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.754 1.222 . . . . 0.0 111.559 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -134.56 133.73 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.529 1.532 . . . . 0.0 109.022 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -143.55 97.12 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.35 1.46 . . . . 0.0 109.75 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.0 mt -77.68 -18.58 56.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.191 1.396 . . . . 0.0 112.908 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -70.88 -45.2 64.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.253 1.421 . . . . 0.0 110.164 173.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -82.91 -23.81 33.37 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.819 1.247 . . . . 0.0 113.3 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.04 43.17 14.33 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.231 1.396 . . . . 0.0 113.238 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.28 139.08 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.509 1.523 . . . . 0.0 112.07 -173.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 66.6 mt -124.54 130.67 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.619 1.968 . . . . 0.0 109.094 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -112.33 126.31 55.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.305 1.042 . . . . 0.0 111.066 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.23 145.52 27.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.304 1.041 . . . . 0.0 111.371 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.54 155.62 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.865 1.666 . . . . 0.0 111.121 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 . . . . . 0 N--CA 1.471 0.615 0 C-N-CA 124.246 1.018 . . . . 0.0 110.408 178.201 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 CA-C-O 118.999 -0.889 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -58.75 158.07 25.67 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.992 3.128 . . . . 0.0 114.8 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.37 118.93 5.68 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.086 0.851 . . . . 0.0 112.876 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 85.6 p -87.91 -10.15 51.47 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mmm -68.87 155.97 39.3 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.614 1.566 . . . . 0.0 113.721 -175.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -140.68 161.61 37.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.909 1.683 . . . . 0.0 110.376 165.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 163.95 31.43 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.813 1.645 . . . . 0.0 110.203 171.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.86 172.08 10.71 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.942 0.897 . . . . 0.0 112.558 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -100.86 152.06 20.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.526 0.73 . . . . 0.0 111.232 156.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.3 t -111.07 140.24 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.817 1.247 . . . . 0.0 109.321 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 p -128.76 138.1 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.959 1.303 . . . . 0.0 111.626 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.74 169.36 24.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.927 1.691 . . . . 0.0 111.249 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.3 m -131.7 132.3 43.81 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.769 0.828 . . . . 0.0 111.174 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -69.92 162.64 27.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.338 1.455 . . . . 0.0 112.167 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.12 -23.01 67.25 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.185 0.994 . . . . 0.0 113.139 171.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -78.28 -1.88 35.25 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.349 1.46 . . . . 0.0 113.646 172.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.18 4.6 89.64 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.305 1.431 . . . . 0.0 114.494 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.49 123.09 6.61 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.373 0.987 . . . . 0.0 112.638 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -73.98 138.53 44.21 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.067 0.947 . . . . 0.0 111.074 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -134.4 140.75 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.465 1.506 . . . . 0.0 110.522 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -140.16 137.26 34.27 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.897 1.679 . . . . 0.0 110.674 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -127.72 125.35 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.449 1.499 . . . . 0.0 108.634 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.1 169.8 26.94 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.464 1.03 . . . . 0.0 114.301 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 54.41 35.05 22.2 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.698 1.599 . . . . 0.0 114.196 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.87 125.84 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.609 1.164 . . . . 0.0 110.91 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -90.92 -41.97 10.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.61 1.964 . . . . 0.0 111.256 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -154.98 157.02 37.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.752 1.221 . . . . 0.0 112.837 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.0 139.15 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.114 1.766 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -135.79 124.45 23.77 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.89 1.276 . . . . 0.0 110.985 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.44 109.71 20.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.347 1.059 . . . . 0.0 110.06 168.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -81.0 174.41 11.65 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.772 1.229 . . . . 0.0 111.177 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.01 42.28 0.6 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.645 1.593 . . . . 0.0 115.151 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.86 -1.01 0.09 OUTLIER Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.234 1.397 . . . . 0.0 116.443 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.07 155.55 29.46 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.599 1.56 . . . . 0.0 112.351 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.5 136.08 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.745 0.818 . . . . 0.0 110.97 166.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -113.21 143.58 44.14 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.718 2.007 . . . . 0.0 110.727 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.78 126.2 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 109.403 -174.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -121.43 132.73 54.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.215 1.006 . . . . 0.0 110.961 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.8 p -88.7 163.84 15.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 122.329 1.062 . . . . 0.0 113.419 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.1 tp -56.86 -24.9 54.91 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.411 2.284 . . . . 0.0 112.987 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.2 23.05 15.05 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.287 1.835 . . . . 0.0 113.196 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 62.02 28.72 17.4 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.704 2.001 . . . . 0.0 115.136 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.5 157.04 18.26 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.947 -1.095 . . . . 0.0 110.429 162.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -139.13 143.26 38.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.422 1.089 . . . . 0.0 112.383 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -129.78 149.18 51.63 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.877 2.071 . . . . 0.0 110.099 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 141.34 30.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.972 0.909 . . . . 0.0 112.659 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -141.29 105.05 6.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.316 1.446 . . . . 0.0 111.365 -168.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.99 147.09 60.63 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.665 2.243 . . . . 0.0 112.108 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 16.04 80.98 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 115.229 0.852 . . . . 0.0 115.229 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -107.28 162.76 13.61 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 112.447 171.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 160.46 39.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.914 2.086 . . . . 0.0 109.965 166.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.4 mt -77.56 122.28 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.005 -1.059 . . . . 0.0 109.709 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.21 -44.78 2.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.724 1.631 . . . . 0.0 114.822 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -142.27 151.02 41.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.052 1.341 . . . . 0.0 112.814 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -137.47 106.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 126.139 1.775 . . . . 0.0 108.569 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -113.87 87.54 2.64 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.116 1.366 . . . . 0.0 110.349 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.488 HD22 ' H ' ' A' ' 53' ' ' LEU . 2.1 mm? -63.87 -32.41 73.93 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.172 0.989 . . . . 0.0 111.941 -176.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 ttm105 -56.24 -35.47 67.42 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.0 1.32 . . . . 0.0 112.623 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -106.03 -18.18 14.11 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.587 1.555 . . . . 0.0 114.029 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.86 37.48 50.85 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.6 1.095 . . . . 0.0 113.546 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.8 t -124.55 133.0 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.329 1.052 . . . . 0.0 111.975 -172.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.3 mt -119.43 133.0 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 108.669 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -122.86 127.49 49.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.96 0.904 . . . . 0.0 111.244 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 mt -100.31 150.01 23.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.976 1.311 . . . . 0.0 112.199 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.99 157.82 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.444 1.898 . . . . 0.0 110.855 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -71.95 120.73 17.96 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.845 0.858 . . . . 0.0 111.727 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HG2' ' H ' ' A' ' 65' ' ' ASN . 46.1 tt0 -64.73 129.74 40.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.023 1.329 . . . . 0.0 112.016 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -99.6 5.74 45.88 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.82 1.248 . . . . 0.0 113.398 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.465 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 63.0 t30 -96.34 12.43 31.18 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.876 2.07 . . . . 0.0 113.689 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.129 1.772 . . . . 0.0 112.865 -175.881 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 CA-C-O 119.567 -0.574 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -66.02 -19.36 57.72 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.994 3.129 . . . . 0.0 115.623 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 78.69 -166.71 52.36 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.525 1.06 . . . . 0.0 113.209 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 33.4 t -68.81 122.5 18.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.611 0.764 . . . . 0.0 112.134 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm -160.76 168.35 24.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.789 2.036 . . . . 0.0 110.396 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.02 153.15 47.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.039 0.935 . . . . 0.0 111.833 168.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.8 ptm -157.0 159.77 38.35 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.988 2.115 . . . . 0.0 109.732 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -146.38 -178.55 6.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.716 0.807 . . . . 0.0 113.013 -169.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -122.03 142.5 50.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.753 1.221 . . . . 0.0 112.289 167.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -97.32 139.32 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.821 1.248 . . . . 0.0 109.894 174.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -126.35 141.29 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.163 1.385 . . . . 0.0 110.856 168.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -149.91 169.21 21.69 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.756 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.4 m -129.16 129.72 45.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.13 0.972 . . . . 0.0 110.993 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -69.9 165.73 21.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.689 1.595 . . . . 0.0 112.858 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.79 67.0 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.219 1.008 . . . . 0.0 113.054 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -70.54 -9.4 56.65 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.965 1.706 . . . . 0.0 113.969 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.67 6.3 89.44 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.419 1.485 . . . . 0.0 114.27 -170.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.72 131.93 10.73 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.604 1.097 . . . . 0.0 112.784 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -76.44 143.48 40.53 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.524 -0.986 . . . . 0.0 111.426 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -137.34 142.02 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 126.259 1.824 . . . . 0.0 109.636 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.24 139.49 35.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.721 1.209 . . . . 0.0 111.62 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.0 mt -130.51 119.14 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.58 1.952 . . . . 0.0 109.602 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.3 168.21 36.55 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.386 0.993 . . . . 0.0 114.531 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 56.94 34.57 25.08 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.027 1.731 . . . . 0.0 115.18 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.68 133.26 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.33 1.852 . . . . 0.0 111.299 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -107.44 -22.62 12.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.913 1.285 . . . . 0.0 113.863 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -155.22 151.66 28.39 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -134.35 137.67 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.823 2.049 . . . . 0.0 109.285 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -133.51 131.72 40.14 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.709 1.204 . . . . 0.0 111.453 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.78 110.39 21.73 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.785 0.834 . . . . 0.0 110.236 167.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.2 173.74 11.84 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.212 1.405 . . . . 0.0 111.285 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.84 43.43 0.78 Allowed Glycine 0 CA--C 1.544 1.858 0 C-N-CA 125.722 1.629 . . . . 0.0 115.413 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.19 -1.99 0.19 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.925 1.25 . . . . 0.0 115.887 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.76 162.16 40.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.39 1.595 . . . . 0.0 112.295 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.89 134.87 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.508 0.723 . . . . 0.0 110.933 164.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -106.41 146.25 30.72 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.062 2.145 . . . . 0.0 111.0 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -138.44 133.46 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.122 1.769 . . . . 0.0 109.574 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -131.18 132.05 44.46 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 0.82 . . . . 0.0 112.345 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.3 p -91.31 167.66 12.14 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -53.96 -30.74 48.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.354 2.262 . . . . 0.0 113.111 169.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -96.52 18.47 14.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.172 1.389 . . . . 0.0 113.122 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 60.8 25.48 15.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.649 1.98 . . . . 0.0 114.734 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -81.02 126.75 31.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.155 -0.966 . . . . 0.0 109.302 166.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -104.59 138.13 41.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.223 1.009 . . . . 0.0 111.207 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.29 146.59 50.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.975 1.71 . . . . 0.0 109.343 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.47 140.48 30.38 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.631 0.772 . . . . 0.0 112.303 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.6 109.91 8.73 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 125.222 1.409 . . . . 0.0 111.378 -170.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -71.04 146.69 52.93 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.976 2.451 . . . . 0.0 112.381 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.28 7.54 87.77 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.941 1.258 . . . . 0.0 115.319 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.86 164.99 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.084 1.442 . . . . 0.0 113.112 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.62 158.36 44.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.901 2.081 . . . . 0.0 110.566 166.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.4 mt -77.96 120.75 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.466 -0.771 . . . . 0.0 109.461 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.31 -51.14 1.62 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.934 1.254 . . . . 0.0 114.471 -172.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -145.92 148.23 32.58 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.755 1.222 . . . . 0.0 112.013 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.25 135.45 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.613 1.965 . . . . 0.0 109.128 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -139.46 111.26 7.27 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 110.316 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -84.94 -20.61 30.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.452 1.101 . . . . 0.0 112.485 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -69.11 -49.84 53.48 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.162 1.385 . . . . 0.0 110.425 171.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.8 m -82.64 -23.27 34.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.32 48.61 29.98 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.928 0.775 . . . . 0.0 112.339 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.0 t -133.98 140.44 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.716 1.207 . . . . 0.0 111.374 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.76 133.77 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.601 1.56 . . . . 0.0 109.479 167.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.51 126.91 55.47 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.676 1.19 . . . . 0.0 111.258 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.7 151.27 20.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.088 1.355 . . . . 0.0 111.831 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.43 158.48 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.671 1.588 . . . . 0.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -77.56 120.92 23.19 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.902 0.881 . . . . 0.0 110.883 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.23 146.0 45.79 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.273 1.429 . . . . 0.0 111.832 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -120.36 5.7 10.69 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -168.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -82.79 -31.03 28.44 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.517 1.127 . . . . 0.0 111.294 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 126.899 2.08 . . . . 0.0 114.088 172.154 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -65.18 -17.91 59.9 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 124.099 3.2 . . . . 0.0 116.168 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 80.21 -169.1 52.52 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.425 1.012 . . . . 0.0 113.103 -172.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 40.9 m -63.8 132.07 49.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.196 0.999 . . . . 0.0 112.853 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm -89.76 159.76 16.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.199 1.4 . . . . 0.0 112.806 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t -138.91 146.58 41.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.13 1.372 . . . . 0.0 110.381 164.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.75 164.56 30.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.635 1.574 . . . . 0.0 110.574 170.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.78 -175.69 4.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.424 1.089 . . . . 0.0 111.6 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -120.19 145.38 47.04 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.803 0.841 . . . . 0.0 112.716 164.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -90.12 145.12 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.341 1.056 . . . . 0.0 110.369 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.19 137.8 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.102 1.361 . . . . 0.0 110.748 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.01 161.77 41.25 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.483 1.913 . . . . 0.0 110.464 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 m -133.47 132.26 40.85 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.218 0.607 . . . . 0.0 111.201 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -68.24 162.95 23.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.422 1.489 . . . . 0.0 112.987 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.37 -27.06 68.8 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.196 0.998 . . . . 0.0 113.274 172.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -75.56 -4.8 41.95 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.257 1.423 . . . . 0.0 113.659 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.36 6.85 80.51 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.783 1.659 . . . . 0.0 114.512 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.49 120.32 5.16 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 118.416 1.108 . . . . 0.0 112.259 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -78.64 145.27 34.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.732 0.813 . . . . 0.0 111.953 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.4 t -134.06 138.74 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 126.643 1.977 . . . . 0.0 109.653 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -136.71 146.2 45.58 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.911 1.285 . . . . 0.0 112.137 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.9 mt -130.46 120.55 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.86 1.664 . . . . 0.0 108.565 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 173.8 38.54 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.176 0.893 . . . . 0.0 114.452 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 55.8 35.84 26.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.052 1.741 . . . . 0.0 114.319 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.19 127.62 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.618 1.567 . . . . 0.0 111.975 -174.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.7 mt -90.21 -31.89 16.83 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.581 1.552 . . . . 0.0 112.974 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -155.78 151.89 27.79 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.7 137.82 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 127.322 2.249 . . . . 0.0 109.019 174.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -146.19 122.88 11.18 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.456 0.702 . . . . 0.0 112.81 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 139.04 36.51 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.56 0.695 . . . . 0.0 109.803 161.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -132.73 -169.49 2.26 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.566 1.946 . . . . 0.0 110.517 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.26 -12.71 25.52 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 117.184 1.633 . . . . 0.0 117.184 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.82 20.84 0.1 Allowed Glycine 0 CA--C 1.536 1.388 0 CA-C-N 119.107 1.453 . . . . 0.0 115.542 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.25 165.61 31.11 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.734 1.214 . . . . 0.0 112.021 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -107.84 140.24 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.396 0.678 . . . . 0.0 110.334 158.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -121.61 147.76 45.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.309 1.444 . . . . 0.0 111.371 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -138.51 126.81 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.835 1.654 . . . . 0.0 109.864 -169.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.8 m -121.72 133.08 54.94 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.76 0.824 . . . . 0.0 111.461 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.4 p -97.88 168.29 10.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.242 1.417 . . . . 0.0 114.207 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.78 -25.03 17.23 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.934 2.493 . . . . 0.0 114.334 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.3 17.73 23.49 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.344 1.458 . . . . 0.0 113.276 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 62.01 14.21 6.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.382 2.273 . . . . 0.0 114.983 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -76.32 145.63 39.41 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.758 -1.214 . . . . 0.0 110.391 165.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -132.39 143.99 50.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.313 1.045 . . . . 0.0 111.765 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -124.41 150.03 46.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.818 1.647 . . . . 0.0 110.236 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.68 35.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.737 1.215 . . . . 0.0 111.797 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -138.73 102.2 7.82 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 125.403 1.481 . . . . 0.0 110.844 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.66 144.37 65.79 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.678 2.252 . . . . 0.0 112.021 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.06 15.75 81.35 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.371 0.986 . . . . 0.0 115.34 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.88 164.06 12.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.989 1.394 . . . . 0.0 112.817 171.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.4 163.92 31.73 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.837 2.455 . . . . 0.0 109.957 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.6 mt -79.98 124.72 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.35 -40.34 3.25 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.768 1.175 . . . . 0.0 114.301 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.5 mtm-85 -142.96 151.8 41.3 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.187 0.995 . . . . 0.0 112.645 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -123.66 107.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 126.266 1.826 . . . . 0.0 107.307 164.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -104.44 61.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.724 2.01 . . . . 0.0 109.646 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.68 -21.9 66.85 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.993 1.317 . . . . 0.0 113.342 -172.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -54.64 -30.55 55.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.3 1.84 . . . . 0.0 112.691 167.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.6 m -115.3 -2.22 12.72 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.99 65.56 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.31 0.957 . . . . 0.0 113.996 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.37 141.98 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.903 1.351 . . . . 0.0 112.114 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.94 128.63 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.592 1.557 . . . . 0.0 109.502 171.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 m -110.11 129.56 55.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.594 1.157 . . . . 0.0 111.361 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.1 mt -99.99 153.81 18.89 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.423 1.089 . . . . 0.0 112.598 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.71 159.46 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.397 1.879 . . . . 0.0 111.084 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -72.09 126.1 28.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.493 1.117 . . . . 0.0 112.21 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -82.95 129.92 35.08 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.875 1.27 . . . . 0.0 113.077 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.1 31.59 1.57 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.248 1.819 . . . . 0.0 111.771 169.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -70.88 -34.57 71.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.471 1.909 . . . . 0.0 112.225 173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.008 1.723 . . . . 0.0 114.287 -177.213 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.78 158.12 59.1 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.136 3.224 . . . . 0.0 112.81 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.95 -6.75 83.09 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.856 1.217 . . . . 0.0 115.912 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 44.2 m 55.85 36.9 28.16 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.628 1.571 . . . . 0.0 114.01 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 80.1 mtp -67.33 143.99 56.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.548 1.139 . . . . 0.0 113.295 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 95.9 m -143.01 171.45 14.04 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.009 2.124 . . . . 0.0 109.399 162.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -139.78 155.73 47.14 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.251 0.62 . . . . 0.0 111.602 168.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.52 178.05 7.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.533 1.533 . . . . 0.0 111.707 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -109.97 141.71 42.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.276 0.631 . . . . 0.0 111.952 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.57 146.4 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.188 0.995 . . . . 0.0 110.54 167.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.97 134.59 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.53 1.132 . . . . 0.0 111.566 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -150.47 164.87 34.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.487 1.915 . . . . 0.0 110.661 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -137.28 132.82 34.26 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.806 0.842 . . . . 0.0 110.977 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.82 163.24 17.19 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.165 1.786 . . . . 0.0 112.936 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -26.73 68.31 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.16 0.984 . . . . 0.0 112.645 170.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -76.38 -4.26 41.36 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.075 1.75 . . . . 0.0 114.142 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.42 7.27 82.7 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.46 1.505 . . . . 0.0 114.585 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.91 114.15 3.91 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 118.606 1.203 . . . . 0.0 112.519 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -76.19 139.88 41.43 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.019 0.91 . . . . 0.0 111.204 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -136.08 136.63 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.747 2.019 . . . . 0.0 110.088 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -137.81 147.08 44.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.2 1.0 . . . . 0.0 111.838 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -129.93 121.69 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.484 1.514 . . . . 0.0 108.437 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 167.73 37.75 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.193 0.901 . . . . 0.0 114.507 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 55.27 35.87 25.83 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.963 1.705 . . . . 0.0 113.891 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.65 133.89 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.978 1.711 . . . . 0.0 111.276 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 41.2 mt -109.21 -22.07 12.27 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.308 1.443 . . . . 0.0 114.028 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -154.89 151.88 29.1 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.647 1.112 . . . . 0.0 113.763 168.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -137.29 130.49 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.641 1.976 . . . . 0.0 108.402 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -141.18 127.59 19.92 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.584 0.629 . . . . 0.0 111.717 -170.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.29 29.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.987 0.915 . . . . 0.0 111.644 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -134.18 -175.45 3.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.045 2.138 . . . . 0.0 110.304 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.42 77.0 0.19 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 113.73 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.35 14.94 24.64 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.671 1.605 . . . . 0.0 115.541 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.06 166.31 33.67 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.616 . . . . 0.0 113.557 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -122.29 136.95 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 125.643 1.577 . . . . 0.0 111.179 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -107.56 150.27 27.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.162 2.185 . . . . 0.0 111.248 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.45 133.09 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.496 1.918 . . . . 0.0 109.745 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -135.5 138.39 43.07 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.002 0.819 . . . . 0.0 112.87 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.5 p -98.86 170.47 8.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.43 -25.95 27.95 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.512 2.325 . . . . 0.0 113.934 169.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -104.06 17.26 24.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.384 1.474 . . . . 0.0 112.948 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 59.96 22.93 12.02 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.923 2.089 . . . . 0.0 114.846 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -74.16 136.41 42.86 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.63 166.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -115.95 139.38 50.3 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.985 0.914 . . . . 0.0 111.468 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -131.4 148.04 52.62 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.344 1.858 . . . . 0.0 109.666 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.95 143.85 32.14 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -138.89 113.93 8.46 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.226 1.411 . . . . 0.0 110.796 -171.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.95 149.15 41.54 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.869 2.379 . . . . 0.0 112.172 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.59 12.18 84.75 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.941 1.257 . . . . 0.0 115.416 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 60.7 mt -107.5 164.0 12.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.971 1.308 . . . . 0.0 112.97 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.74 163.29 33.0 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.693 2.397 . . . . 0.0 110.412 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.91 125.33 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.066 -1.021 . . . . 0.0 109.427 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.37 -65.03 0.9 Allowed Glycine 0 N--CA 1.47 0.932 0 C-N-CA 124.459 1.028 . . . . 0.0 113.616 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -143.13 150.59 39.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.396 1.079 . . . . 0.0 112.188 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.45 110.84 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.027 1.731 . . . . 0.0 109.559 -168.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.75 100.23 9.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.622 1.169 . . . . 0.0 110.374 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.433 HD22 ' H ' ' B' ' 53' ' ' LEU . 2.2 mm? -66.94 -35.35 79.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.624 -0.672 . . . . 0.0 110.432 169.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -58.83 -28.29 65.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.408 1.883 . . . . 0.0 114.302 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.7 m -121.17 -12.15 8.73 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.48 43.61 44.34 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.664 1.126 . . . . 0.0 113.647 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.44 137.27 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 118.59 1.195 . . . . 0.0 112.335 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.26 111.46 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.161 1.785 . . . . 0.0 108.568 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 t -99.34 127.12 45.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.823 1.249 . . . . 0.0 111.708 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.29 150.36 23.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.596 1.558 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.93 158.07 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.741 1.617 . . . . 0.0 111.806 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.78 125.49 28.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.446 0.698 . . . . 0.0 111.941 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.449 ' HG2' ' H ' ' B' ' 65' ' ' ASN . 34.9 tt0 -91.09 145.66 24.5 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.49 1.916 . . . . 0.0 112.889 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -123.76 1.18 8.76 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.942 2.097 . . . . 0.0 113.516 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASN . . . . . 0.449 ' H ' ' HG2' ' B' ' 63' ' ' GLU . 46.0 t-20 -66.59 -35.85 81.19 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.333 1.853 . . . . 0.0 113.293 -173.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.996 1.718 . . . . 0.0 111.865 -175.049 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 CA-C-O 119.723 -0.487 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -64.15 -24.14 66.26 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.896 3.064 . . . . 0.0 115.901 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 62.79 -122.52 28.03 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 121.041 -1.037 . . . . 0.0 112.622 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 79.2 p -73.83 -11.12 60.28 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.21 154.95 33.36 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.017 0.826 . . . . 0.0 113.229 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.3 t -130.82 156.4 45.07 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.311 1.844 . . . . 0.0 109.832 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -147.71 160.81 42.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.929 1.692 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.9 168.35 18.02 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -106.82 117.4 33.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.099 1.759 . . . . 0.0 110.745 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.98 141.36 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.988 0.515 . . . . 0.0 109.96 168.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -140.76 139.87 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.871 1.269 . . . . 0.0 112.553 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -151.06 163.38 38.9 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.517 2.327 . . . . 0.0 110.953 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.2 m -136.59 131.4 33.72 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.726 0.81 . . . . 0.0 111.904 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -71.41 160.12 33.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.668 1.587 . . . . 0.0 112.823 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -24.73 67.94 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.153 0.981 . . . . 0.0 113.12 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -74.08 -4.46 35.69 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.383 1.473 . . . . 0.0 113.624 171.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 4.28 78.01 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.649 1.595 . . . . 0.0 114.461 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.84 113.65 3.71 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.877 1.339 . . . . 0.0 112.445 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -74.94 141.0 44.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.459 1.103 . . . . 0.0 111.287 174.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -135.58 136.95 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.26 1.824 . . . . 0.0 109.245 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -142.05 152.88 43.77 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.079 0.952 . . . . 0.0 113.039 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -132.54 120.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.074 1.75 . . . . 0.0 108.333 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.94 175.53 41.76 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.632 1.111 . . . . 0.0 114.165 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.03 30.94 19.06 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.046 1.738 . . . . 0.0 114.162 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -76.14 125.33 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.462 1.105 . . . . 0.0 110.973 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -99.0 -20.41 16.76 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -152.74 153.14 32.61 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.669 1.122 . . . . 0.0 113.83 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.55 151.24 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.214 1.406 . . . . 0.0 111.199 168.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mtm105 -138.24 126.92 23.6 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.034 1.734 . . . . 0.0 110.488 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.4 106.62 18.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.46 1.104 . . . . 0.0 108.914 166.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -107.77 -170.04 1.62 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.348 1.859 . . . . 0.0 112.115 -169.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.33 75.6 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.732 1.634 . . . . 0.0 114.092 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.43 12.53 51.02 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.857 1.694 . . . . 0.0 115.469 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.05 153.27 25.71 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.056 1.428 . . . . 0.0 112.412 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.15 140.1 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.616 0.766 . . . . 0.0 110.554 164.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -122.22 149.26 43.92 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.352 1.461 . . . . 0.0 111.871 171.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.1 t -142.08 131.08 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.399 1.88 . . . . 0.0 109.265 -166.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.8 m -131.74 132.75 44.11 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.751 1.16 . . . . 0.0 112.711 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 p -84.48 172.18 11.91 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.26 -24.91 3.2 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.423 2.289 . . . . 0.0 114.04 165.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.57 16.94 25.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 112.786 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 61.11 18.81 9.39 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 115.25 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.64 119.02 21.31 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.024 -1.048 . . . . 0.0 109.997 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.33 140.34 31.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.8 0.84 . . . . 0.0 112.799 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -125.58 151.23 46.7 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.799 2.04 . . . . 0.0 109.907 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.46 140.73 39.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.959 0.904 . . . . 0.0 112.844 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -139.02 105.03 7.32 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 125.211 1.405 . . . . 0.0 111.066 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.2 149.39 57.69 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.129 2.553 . . . . 0.0 112.593 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.57 10.29 85.84 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.745 1.164 . . . . 0.0 115.519 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -105.31 163.06 12.9 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.933 1.366 . . . . 0.0 112.197 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.05 161.5 35.9 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.186 2.194 . . . . 0.0 110.003 165.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -76.68 118.66 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.94 -42.46 5.34 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.958 1.266 . . . . 0.0 113.358 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -143.16 155.21 44.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.983 . . . . 0.0 112.855 173.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.57 115.34 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.122 1.769 . . . . 0.0 107.089 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -131.11 97.45 4.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.476 1.111 . . . . 0.0 110.364 -169.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.16 -24.66 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.422 1.489 . . . . 0.0 112.066 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.07 -46.03 89.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.549 1.539 . . . . 0.0 110.567 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -77.44 -32.92 54.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.146 0.978 . . . . 0.0 112.804 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.67 29.04 40.6 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.307 1.432 . . . . 0.0 113.067 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.02 144.38 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.337 1.455 . . . . 0.0 111.922 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.06 110.47 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.905 1.682 . . . . 0.0 109.032 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -86.78 120.17 27.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.921 1.289 . . . . 0.0 110.493 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -93.81 153.2 18.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.425 0.69 . . . . 0.0 112.34 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.25 159.11 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.296 1.839 . . . . 0.0 111.2 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -72.78 122.55 21.73 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.393 1.077 . . . . 0.0 111.942 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -77.02 151.13 35.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.854 1.262 . . . . 0.0 112.397 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.99 32.59 1.97 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.09 1.756 . . . . 0.0 112.504 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -72.56 -28.48 62.85 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.975 1.31 . . . . 0.0 113.333 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.531 1.932 . . . . 0.0 113.154 -175.696 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 CA-C-O 119.859 -0.412 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -56.87 145.32 84.79 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 124.237 3.291 . . . . 0.0 114.189 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 79.61 -12.58 27.22 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.931 1.253 . . . . 0.0 115.516 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 32.4 t -69.34 -37.13 77.54 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.226 1.513 . . . . 0.0 111.949 172.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm -155.53 170.41 22.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.351 1.861 . . . . 0.0 110.963 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 31.2 t -143.44 157.26 44.6 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.135 1.374 . . . . 0.0 109.825 168.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -143.58 169.48 17.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.608 1.563 . . . . 0.0 111.565 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.18 165.19 25.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.94 1.296 . . . . 0.0 114.143 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -124.21 126.73 46.61 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.202 1.801 . . . . 0.0 109.672 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t -95.81 142.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.029 1.332 . . . . 0.0 110.096 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.76 138.0 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.679 1.592 . . . . 0.0 110.878 167.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -148.43 159.68 43.79 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.47 1.508 . . . . 0.0 111.439 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 50.1 m -134.43 127.92 32.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.9 0.88 . . . . 0.0 110.331 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.09 163.07 20.88 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.365 1.466 . . . . 0.0 112.102 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -26.08 68.07 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.776 0.831 . . . . 0.0 112.75 170.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.39 -4.37 39.04 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.36 1.464 . . . . 0.0 113.571 171.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.8 7.17 78.67 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.541 1.544 . . . . 0.0 114.993 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.64 112.91 3.54 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 118.352 1.076 . . . . 0.0 112.464 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -79.26 136.3 37.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.351 1.06 . . . . 0.0 111.272 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.6 t -136.38 142.04 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.88 1.672 . . . . 0.0 110.728 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -137.33 145.19 43.09 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.924 1.29 . . . . 0.0 111.796 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -139.3 119.65 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.319 1.448 . . . . 0.0 109.582 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.06 -179.91 41.27 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.567 1.08 . . . . 0.0 113.562 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 59.57 28.57 18.01 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.7 t -81.26 135.12 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 111.174 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.3 mt -99.37 -34.9 10.11 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -150.82 158.48 44.2 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.6 t -132.7 139.92 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.976 2.111 . . . . 0.0 108.847 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -131.27 135.66 47.51 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.109 1.364 . . . . 0.0 111.855 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.44 145.79 24.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.826 1.25 . . . . 0.0 111.85 170.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -128.1 173.08 10.39 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.491 1.917 . . . . 0.0 110.288 168.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.58 40.02 0.5 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.209 1.862 . . . . 0.0 115.476 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.9 8.53 0.06 OUTLIER Glycine 0 CA--C 1.54 1.615 0 C-N-CA 126.111 1.815 . . . . 0.0 115.456 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.05 164.11 33.41 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.985 1.893 . . . . 0.0 113.136 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -119.94 145.9 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.773 1.229 . . . . 0.0 110.994 163.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -124.96 143.88 50.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.699 1.999 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.87 132.92 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.272 1.829 . . . . 0.0 110.006 -171.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 93.4 m -127.93 127.16 42.83 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.196 0.998 . . . . 0.0 112.24 -174.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -91.44 165.79 13.21 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.748 1.219 . . . . 0.0 113.906 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.39 -17.11 64.59 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -84.37 4.81 29.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.002 1.321 . . . . 0.0 113.2 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 60.14 27.28 16.73 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.574 1.95 . . . . 0.0 114.081 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -82.85 153.52 25.11 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.915 -1.115 . . . . 0.0 110.688 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -129.25 141.03 51.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.127 0.971 . . . . 0.0 112.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -128.14 149.06 50.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.318 1.847 . . . . 0.0 109.728 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.61 141.6 31.98 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.153 0.981 . . . . 0.0 113.035 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -140.66 100.27 6.76 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.541 . . . . 0.0 111.272 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.08 149.01 92.07 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.747 2.965 . . . . 0.0 113.374 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 3.91 90.55 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.688 1.613 . . . . 0.0 115.45 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.91 165.14 11.35 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.705 1.252 . . . . 0.0 113.627 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.63 157.38 45.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.327 2.251 . . . . 0.0 110.257 165.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 67.6 mt -71.48 114.69 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 -49.5 2.07 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.418 1.008 . . . . 0.0 113.71 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -148.92 150.49 33.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.659 1.184 . . . . 0.0 111.859 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -131.0 132.15 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.488 1.115 . . . . 0.0 110.329 166.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -108.78 99.86 9.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 108.871 163.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.89 -23.04 67.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.086 0.955 . . . . 0.0 112.654 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -55.22 -28.9 56.37 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.716 1.607 . . . . 0.0 113.462 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 t -133.62 10.07 3.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.625 1.97 . . . . 0.0 112.687 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.43 26.65 68.34 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 120.563 -1.336 . . . . 0.0 114.515 -177.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.8 t -81.69 118.72 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.534 1.667 . . . . 0.0 110.075 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -106.54 122.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.629 1.571 . . . . 0.0 109.095 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.5 t -106.47 122.97 47.36 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -95.73 147.49 23.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 111.45 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -130.08 159.37 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.108 1.763 . . . . 0.0 110.863 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.67 120.09 17.8 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.363 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 139.57 50.94 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.921 1.288 . . . . 0.0 112.429 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -107.24 13.99 26.62 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -164.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -106.12 8.63 32.26 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 125.76 1.624 . . . . 0.0 113.081 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.843 1.657 . . . . 0.0 113.183 178.874 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.07 -19.61 26.2 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 124.455 3.437 . . . . 0.0 114.12 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.22 157.88 30.33 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.12 1.343 . . . . 0.0 113.165 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.1 t -75.0 153.82 38.35 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.303 1.041 . . . . 0.0 112.569 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.5 mtp -133.8 156.66 47.61 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.346 1.858 . . . . 0.0 112.008 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.0 m -133.1 144.52 50.02 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.508 1.523 . . . . 0.0 110.346 172.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -153.5 168.46 26.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.157 1.383 . . . . 0.0 111.676 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 173.43 11.54 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.252 1.421 . . . . 0.0 112.459 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.55 137.34 41.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.593 1.157 . . . . 0.0 110.87 162.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.74 140.46 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.278 1.031 . . . . 0.0 109.932 169.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -135.79 140.87 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.821 1.248 . . . . 0.0 110.809 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -151.94 158.34 43.02 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 112.333 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 m -132.13 119.3 20.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.424 1.09 . . . . 0.0 108.98 165.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -65.85 161.14 21.72 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.891 1.276 . . . . 0.0 112.469 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.57 -26.84 67.25 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.196 0.999 . . . . 0.0 113.268 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -76.73 -3.19 36.82 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.976 1.71 . . . . 0.0 113.772 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.4 4.49 76.96 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.575 1.56 . . . . 0.0 114.597 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.6 110.44 3.04 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 118.72 1.26 . . . . 0.0 112.776 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -86.02 135.59 33.58 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.798 1.239 . . . . 0.0 111.949 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -139.73 148.06 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.98 1.312 . . . . 0.0 111.01 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -140.21 134.8 31.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.792 1.637 . . . . 0.0 109.961 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.32 123.05 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.205 1.402 . . . . 0.0 109.57 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.17 169.18 34.53 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.169 0.89 . . . . 0.0 113.994 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 57.33 32.68 22.15 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.839 1.656 . . . . 0.0 114.775 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.62 125.35 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.918 1.687 . . . . 0.0 111.225 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.97 -27.29 17.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.317 1.047 . . . . 0.0 113.269 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -158.57 146.91 18.47 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.03 141.08 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.465 1.906 . . . . 0.0 110.779 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -138.89 127.33 23.0 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.636 1.174 . . . . 0.0 112.553 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.53 121.51 38.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.866 1.266 . . . . 0.0 110.593 173.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -106.15 12.39 30.26 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -165.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.33 29.78 63.63 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.273 0.939 . . . . 0.0 113.431 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.73 -19.34 0.05 OUTLIER Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.796 1.665 . . . . 0.0 113.883 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.31 41.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.18 1.792 . . . . 0.0 110.645 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.68 138.71 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.427 0.691 . . . . 0.0 110.894 164.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -112.11 145.53 39.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.857 2.063 . . . . 0.0 110.803 171.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -138.82 134.34 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.877 2.071 . . . . 0.0 109.205 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.4 m -133.96 129.48 36.31 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.824 1.193 . . . . 0.0 112.765 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -84.69 169.96 13.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.51 1.524 . . . . 0.0 113.401 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.24 -11.93 46.23 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.83 4.57 32.5 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.936 1.294 . . . . 0.0 112.934 170.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 60.58 18.53 8.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.126 2.17 . . . . 0.0 114.544 -172.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -79.86 116.66 20.14 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.387 -0.821 . . . . 0.0 110.643 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -86.6 141.06 29.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.493 0.717 . . . . 0.0 112.302 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -126.46 150.27 48.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.154 2.182 . . . . 0.0 109.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.52 142.34 29.11 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.36 0.664 . . . . 0.0 112.677 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -140.88 111.93 6.8 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.067 1.347 . . . . 0.0 111.093 -169.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -75.16 149.06 35.52 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.554 2.836 . . . . 0.0 112.93 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.18 8.74 87.37 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.994 1.283 . . . . 0.0 115.221 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -103.67 163.92 12.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.805 1.242 . . . . 0.0 113.17 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.71 161.45 37.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.234 2.213 . . . . 0.0 109.805 166.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.24 116.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.8 -41.87 4.28 Favored Glycine 0 N--CA 1.471 1.002 0 C-N-CA 124.606 1.098 . . . . 0.0 113.96 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -149.94 144.35 25.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.619 1.167 . . . . 0.0 111.522 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -128.17 121.57 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.015 1.726 . . . . 0.0 108.488 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -117.69 103.58 10.16 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.305 1.442 . . . . 0.0 109.557 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.43 -22.81 40.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.559 1.544 . . . . 0.0 112.438 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -54.23 7.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.334 1.054 . . . . 0.0 109.689 175.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -81.1 -17.85 48.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.77 46.01 25.61 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.68 1.133 . . . . 0.0 113.026 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.7 139.91 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.033 1.333 . . . . 0.0 111.29 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -126.57 128.16 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.974 1.71 . . . . 0.0 108.781 175.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.8 m -116.71 124.62 50.12 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.603 1.161 . . . . 0.0 110.68 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.04 150.32 21.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.968 0.907 . . . . 0.0 111.821 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.54 161.57 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.098 1.759 . . . . 0.0 111.209 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.91 118.8 16.3 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.638 0.775 . . . . 0.0 111.074 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' HG2' ' H ' ' A' ' 65' ' ' ASN . 42.2 tt0 -64.47 127.77 32.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.033 0.933 . . . . 0.0 112.968 -172.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -87.16 2.37 50.14 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 7.1 t-20 -75.79 -14.81 60.31 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 126.32 1.848 . . . . 0.0 114.079 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 126.361 1.864 . . . . 0.0 114.138 -177.091 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 CA-C-O 119.456 -0.635 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.49 161.62 20.1 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.302 3.335 . . . . 0.0 114.355 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.28 0.01 89.34 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.799 1.19 . . . . 0.0 115.407 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 96.7 p -77.08 -1.16 27.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.837 1.655 . . . . 0.0 114.36 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm -159.4 158.31 31.91 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.579 1.952 . . . . 0.0 111.868 -173.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 18.8 m -136.66 46.64 2.22 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.621 1.968 . . . . 0.0 111.651 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -53.63 141.45 25.94 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -173.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.26 -179.31 3.74 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.272 . . . . 0.0 113.031 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -115.37 142.96 45.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.042 1.337 . . . . 0.0 111.186 159.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -101.22 145.15 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.467 1.507 . . . . 0.0 109.97 171.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.87 142.92 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.329 1.452 . . . . 0.0 111.468 170.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -149.78 154.44 38.47 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.682 1.593 . . . . 0.0 111.889 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -115.53 134.3 55.2 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.067 1.347 . . . . 0.0 111.022 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -77.69 157.22 30.22 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.957 1.703 . . . . 0.0 112.197 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.14 67.29 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.909 0.884 . . . . 0.0 112.866 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.77 -3.62 35.94 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.793 1.637 . . . . 0.0 114.04 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.75 6.92 86.59 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.284 1.421 . . . . 0.0 114.669 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.21 171.85 55.05 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.635 1.112 . . . . 0.0 112.532 171.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -140.81 146.68 37.93 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.28 1.032 . . . . 0.0 111.635 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.38 139.09 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.636 1.574 . . . . 0.0 110.053 -176.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -122.0 150.02 42.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.276 1.43 . . . . 0.0 111.327 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.7 mt -131.46 124.69 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.767 1.627 . . . . 0.0 108.314 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.78 170.1 27.65 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.709 1.147 . . . . 0.0 114.276 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 54.54 39.54 31.21 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.043 1.737 . . . . 0.0 114.053 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.4 119.91 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.581 1.552 . . . . 0.0 111.69 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.07 -34.1 26.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.826 1.251 . . . . 0.0 112.716 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -156.36 155.02 31.47 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -128.56 134.59 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 126.8 2.04 . . . . 0.0 108.862 174.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtm105 -134.78 122.72 22.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.537 1.535 . . . . 0.0 111.061 -168.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.67 32.9 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.182 0.993 . . . . 0.0 111.313 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -103.98 13.96 31.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 112.527 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.93 -32.55 1.96 Allowed Glycine 0 CA--C 1.54 1.654 0 C-N-CA 126.069 1.795 . . . . 0.0 115.017 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.26 6.07 11.96 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 126.38 1.943 . . . . 0.0 114.484 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.29 165.62 33.05 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.082 1.753 . . . . 0.0 111.746 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.0 t -127.17 144.32 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 124.575 1.15 . . . . 0.0 111.553 170.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -130.15 148.24 51.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.093 2.157 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.48 132.01 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.295 1.438 . . . . 0.0 110.271 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -115.44 127.57 55.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.466 1.107 . . . . 0.0 111.941 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -89.85 167.33 12.93 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.26 -28.98 30.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.954 2.102 . . . . 0.0 113.525 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.05 18.65 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.266 1.426 . . . . 0.0 113.781 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 62.28 13.9 6.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.772 2.029 . . . . 0.0 115.532 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -72.9 132.91 44.09 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -104.65 139.59 39.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.337 1.055 . . . . 0.0 111.828 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -117.37 150.86 38.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.751 1.621 . . . . 0.0 109.917 168.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.28 140.91 28.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.041 0.936 . . . . 0.0 112.484 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -142.89 100.6 5.44 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.928 1.291 . . . . 0.0 111.066 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.47 146.27 67.64 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.338 2.026 . . . . 0.0 111.469 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.91 10.84 85.2 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.741 1.162 . . . . 0.0 115.099 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -106.26 165.39 11.28 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.978 1.389 . . . . 0.0 112.673 172.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.03 159.5 42.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.203 2.201 . . . . 0.0 110.802 167.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 59.9 mt -77.08 119.13 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.971 0.908 . . . . 0.0 109.134 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.36 -43.27 2.21 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.388 0.994 . . . . 0.0 115.208 -174.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -142.19 145.61 34.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.003 1.321 . . . . 0.0 111.583 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.24 106.54 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.74 2.016 . . . . 0.0 109.07 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -100.84 77.73 1.89 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.588 1.555 . . . . 0.0 109.895 174.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -31.86 67.53 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.251 1.02 . . . . 0.0 111.741 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.9 -43.08 65.92 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.993 1.717 . . . . 0.0 112.59 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 -23.65 15.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.588 1.555 . . . . 0.0 113.323 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.12 43.12 14.18 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.625 1.107 . . . . 0.0 112.873 -170.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.48 136.76 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.601 1.16 . . . . 0.0 111.08 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -130.63 133.75 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.842 1.657 . . . . 0.0 109.346 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -120.78 127.38 51.9 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.495 1.118 . . . . 0.0 111.937 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.92 153.39 18.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.387 1.075 . . . . 0.0 112.396 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.78 160.18 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.136 1.774 . . . . 0.0 111.418 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -77.39 120.19 22.05 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.219 1.008 . . . . 0.0 111.833 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -94.67 142.56 27.31 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.644 1.977 . . . . 0.0 111.853 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -93.48 3.98 54.69 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -174.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -73.51 5.53 3.73 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.532 1.533 . . . . 0.0 114.385 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 . . . . . 0 C--O 1.256 1.418 0 C-N-CA 127.111 2.165 . . . . 0.0 113.11 179.505 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 CA-C-O 119.522 -0.599 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -64.17 -29.3 64.83 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.573 2.849 . . . . 0.0 115.18 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 67.26 -137.99 33.87 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.901 0.763 . . . . 0.0 113.018 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 25.0 m -67.85 -21.86 65.16 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.411 1.085 . . . . 0.0 113.793 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mmm -87.8 145.88 25.88 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.965 1.306 . . . . 0.0 111.876 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m -140.86 154.69 46.29 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.493 1.517 . . . . 0.0 110.03 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -153.89 138.43 16.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.329 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 175.55 6.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.854 1.262 . . . . 0.0 112.5 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -110.63 146.13 36.7 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.001 0.92 . . . . 0.0 111.264 153.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.43 141.66 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.141 1.376 . . . . 0.0 110.434 174.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -131.46 137.22 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.512 1.125 . . . . 0.0 112.002 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -154.81 168.32 27.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.002 1.721 . . . . 0.0 111.666 -175.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 m -129.42 128.31 42.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.786 0.834 . . . . 0.0 110.296 172.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -71.31 161.9 30.31 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.938 1.295 . . . . 0.0 112.517 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.66 -25.36 67.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.58 1.152 . . . . 0.0 112.853 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.19 -6.65 30.2 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.309 1.844 . . . . 0.0 113.746 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 6.21 89.21 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.858 1.694 . . . . 0.0 114.209 -172.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.44 122.04 5.61 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 117.978 0.889 . . . . 0.0 113.151 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -72.39 137.46 46.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.937 0.895 . . . . 0.0 110.19 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.07 136.88 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.31 1.444 . . . . 0.0 110.287 -176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -139.42 131.51 28.0 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.434 1.493 . . . . 0.0 110.068 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.96 120.46 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.969 1.307 . . . . 0.0 109.174 -172.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.73 170.27 32.04 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.25 0.929 . . . . 0.0 114.259 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 55.09 37.05 28.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.476 1.91 . . . . 0.0 114.409 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.61 122.48 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.34 -38.01 19.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.482 0.713 . . . . 0.0 112.426 172.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -147.78 154.14 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -138.88 139.28 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 126.507 1.923 . . . . 0.0 108.956 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -137.57 140.52 41.06 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.857 1.263 . . . . 0.0 110.879 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.64 122.31 41.69 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.99 0.916 . . . . 0.0 109.898 163.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -97.47 13.86 28.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.664 1.586 . . . . 0.0 113.661 -170.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.23 39.28 37.15 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.977 1.275 . . . . 0.0 113.772 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.29 -21.31 0.12 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.784 1.659 . . . . 0.0 114.022 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.61 157.6 35.57 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.213 2.205 . . . . 0.0 109.856 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -96.88 156.93 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 166.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -132.46 134.98 45.74 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.566 1.946 . . . . 0.0 109.851 170.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -128.74 132.23 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 127.47 2.308 . . . . 0.0 109.638 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.7 m -128.37 129.44 46.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.823 0.849 . . . . 0.0 112.522 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.9 p -87.88 169.83 11.69 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.389 1.476 . . . . 0.0 114.17 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.0 tp -52.56 -29.0 23.25 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.496 2.318 . . . . 0.0 114.221 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.39 17.6 23.72 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 113.268 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 61.2 13.93 5.16 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.919 2.088 . . . . 0.0 115.491 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.73 145.51 48.75 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.699 -1.251 . . . . 0.0 110.51 165.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -125.78 144.44 50.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.881 1.272 . . . . 0.0 112.583 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -131.31 149.42 52.57 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.019 1.728 . . . . 0.0 110.198 172.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.46 144.58 26.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.979 0.912 . . . . 0.0 112.534 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.71 113.48 4.66 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.494 -169.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -62.99 149.27 92.09 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.663 2.909 . . . . 0.0 113.645 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.44 19.24 79.64 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.504 0.962 . . . . 0.0 115.504 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.67 159.71 20.19 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.024 1.33 . . . . 0.0 112.788 174.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.7 160.13 40.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.686 1.994 . . . . 0.0 110.543 170.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -76.7 117.15 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.593 -0.692 . . . . 0.0 109.399 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.47 -42.38 3.96 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.35 0.976 . . . . 0.0 113.912 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -146.21 153.8 41.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.051 1.34 . . . . 0.0 112.096 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.1 136.0 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.638 1.575 . . . . 0.0 109.787 167.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -136.1 108.41 7.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.325 1.85 . . . . 0.0 108.696 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.89 -26.83 43.87 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.791 1.636 . . . . 0.0 111.926 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -65.09 -48.75 72.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.3 1.84 . . . . 0.0 111.085 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -89.7 -19.01 25.33 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.22 15.3 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.088 1.327 . . . . 0.0 113.514 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -131.25 140.7 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -122.61 127.5 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 126.347 1.859 . . . . 0.0 109.107 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.9 m -105.96 131.25 53.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.189 0.996 . . . . 0.0 110.812 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -99.98 154.42 18.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.678 0.791 . . . . 0.0 112.364 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 pp -134.96 159.63 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.037 1.735 . . . . 0.0 111.311 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.54 124.45 25.24 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.886 0.875 . . . . 0.0 112.219 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -89.32 107.49 19.09 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.823 1.649 . . . . 0.0 111.688 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -88.75 8.72 27.43 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.242 1.017 . . . . 0.0 113.608 173.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -71.51 -3.51 21.62 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.667 1.987 . . . . 0.0 114.764 -172.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.6 mmt-85 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.719 2.008 . . . . 0.0 111.712 -173.079 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -70.33 162.47 42.26 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.929 3.086 . . . . 0.0 113.443 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -158.54 124.94 1.44 Allowed Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.505 1.05 . . . . 0.0 111.664 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m -103.37 -11.18 18.06 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.98 1.312 . . . . 0.0 114.369 -172.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm -70.35 158.78 35.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.024 0.93 . . . . 0.0 113.298 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 23.9 t -135.59 169.81 16.94 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.109 1.763 . . . . 0.0 110.482 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.3 158.43 43.96 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.052 1.341 . . . . 0.0 110.711 171.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.07 -178.74 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.376 1.471 . . . . 0.0 111.769 -173.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -118.14 147.12 43.63 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.105 0.962 . . . . 0.0 112.458 163.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.7 t -93.39 145.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.694 1.198 . . . . 0.0 110.193 171.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.7 136.49 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.102 1.361 . . . . 0.0 112.158 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.19 162.39 41.21 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.574 1.949 . . . . 0.0 110.905 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.6 m -137.83 131.09 30.58 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.016 0.926 . . . . 0.0 110.957 174.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -70.06 160.88 31.18 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.81 1.644 . . . . 0.0 112.322 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 -25.04 68.08 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.652 0.781 . . . . 0.0 112.88 170.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -75.04 -2.45 27.42 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.511 1.524 . . . . 0.0 113.609 172.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.29 5.94 81.95 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.748 1.642 . . . . 0.0 114.649 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.43 107.52 2.49 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 118.749 1.275 . . . . 0.0 112.601 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -73.83 136.18 43.48 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.128 0.971 . . . . 0.0 110.879 171.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -134.12 134.99 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.204 1.802 . . . . 0.0 110.051 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.24 143.29 46.25 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.407 1.083 . . . . 0.0 111.18 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.49 115.86 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.961 1.305 . . . . 0.0 108.446 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.9 170.37 37.89 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.834 1.207 . . . . 0.0 114.612 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 57.85 33.07 22.79 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 114.478 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -77.46 128.1 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.184 1.794 . . . . 0.0 110.906 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 42.7 mt -91.15 -30.95 16.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.892 0.877 . . . . 0.0 113.194 172.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -156.31 152.76 28.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.49 139.11 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.828 2.051 . . . . 0.0 109.278 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -136.22 135.05 38.75 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.892 1.277 . . . . 0.0 110.947 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.64 114.7 26.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.376 1.47 . . . . 0.0 110.387 171.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -76.39 179.74 5.65 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.927 1.291 . . . . 0.0 110.396 164.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -11.43 48.81 Favored Glycine 0 CA--C 1.544 1.851 0 O-C-N 120.289 -1.507 . . . . 0.0 115.884 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.12 22.14 0.26 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.799 1.19 . . . . 0.0 115.276 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.48 30.33 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.128 1.464 . . . . 0.0 111.852 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -107.06 143.82 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.344 1.057 . . . . 0.0 111.066 166.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -123.31 140.92 52.53 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.651 1.98 . . . . 0.0 110.172 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 67.7 t -133.1 131.54 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.941 2.096 . . . . 0.0 109.453 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -129.7 129.4 44.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.795 0.838 . . . . 0.0 112.643 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 p -96.36 167.91 10.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.425 1.49 . . . . 0.0 112.531 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -66.85 -10.45 48.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.67 2.23 30.55 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.149 1.379 . . . . 0.0 113.231 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t0 60.79 22.46 12.46 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.067 2.147 . . . . 0.0 113.848 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -82.64 137.64 34.42 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.273 1.029 . . . . 0.0 110.504 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -109.12 137.85 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.611 1.164 . . . . 0.0 111.563 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -119.16 147.86 43.73 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.382 1.873 . . . . 0.0 109.714 167.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.0 144.86 31.86 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.44 108.29 6.67 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.898 1.279 . . . . 0.0 111.141 -170.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.22 148.78 56.47 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.933 2.422 . . . . 0.0 112.213 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.81 89.76 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.222 1.392 . . . . 0.0 114.985 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 mt -106.59 164.23 12.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.803 1.241 . . . . 0.0 112.95 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.16 166.04 25.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.32 2.248 . . . . 0.0 110.146 165.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mt -74.31 123.99 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.463 -0.773 . . . . 0.0 109.268 174.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.22 -38.17 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.108 0.861 . . . . 0.0 113.983 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -144.65 152.7 40.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.753 1.221 . . . . 0.0 112.698 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -133.36 133.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.579 1.952 . . . . 0.0 108.444 169.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -141.28 106.97 5.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.029 175.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.73 -14.96 50.35 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.588 1.155 . . . . 0.0 113.644 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -76.13 -40.47 52.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.0 0.92 . . . . 0.0 111.048 170.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -77.77 -34.07 52.49 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.76 171.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.92 36.84 20.93 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.502 1.525 . . . . 0.0 112.952 -173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.85 142.28 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.24 1.416 . . . . 0.0 112.262 -168.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.1 mt -125.11 117.38 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.064 1.746 . . . . 0.0 108.806 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.9 m -96.48 130.73 43.57 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.363 1.065 . . . . 0.0 111.32 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.22 155.63 16.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.746 0.818 . . . . 0.0 112.013 173.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.9 164.58 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.835 2.054 . . . . 0.0 111.369 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -74.56 113.73 12.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.543 1.137 . . . . 0.0 110.94 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.97 145.16 50.23 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 122.125 0.964 . . . . 0.0 111.733 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -147.54 28.02 0.98 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.254 1.822 . . . . 0.0 111.785 -168.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -75.71 -28.75 58.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.061 1.744 . . . . 0.0 113.257 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 126.408 1.883 . . . . 0.0 112.948 -177.861 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.328 0 CA-C-O 119.293 -0.726 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.65 157.6 36.46 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 124.693 3.596 . . . . 0.0 114.513 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -84.38 175.45 51.07 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 118.777 -2.452 . . . . 0.0 114.187 -5.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.5 m -65.98 150.65 48.33 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.973 1.309 . . . . 0.0 112.463 174.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp -68.73 147.39 51.88 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 122.465 1.126 . . . . 0.0 113.266 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.7 t -144.41 167.25 22.92 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.587 2.755 . . . . 0.0 108.286 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.2 ptm -149.11 155.67 41.05 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.775 -1.203 . . . . 0.0 111.377 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.54 -179.39 6.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.683 1.193 . . . . 0.0 112.519 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -121.94 143.6 49.36 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.033 1.333 . . . . 0.0 111.473 166.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.0 t -96.72 144.78 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.772 1.229 . . . . 0.0 110.833 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.18 129.54 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.099 2.16 . . . . 0.0 109.909 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -152.43 164.82 36.77 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.826 1.251 . . . . 0.0 111.765 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.4 m -137.47 132.45 33.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.639 0.776 . . . . 0.0 110.913 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -70.7 164.22 25.51 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.005 1.722 . . . . 0.0 113.563 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -26.71 68.2 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.644 1.177 . . . . 0.0 113.697 173.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -78.13 -0.74 29.41 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.0 1.32 . . . . 0.0 113.613 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.18 0.77 76.66 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.856 1.693 . . . . 0.0 114.998 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.84 116.66 4.4 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 119.441 1.621 . . . . 0.0 112.772 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -74.04 140.18 45.21 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.252 1.021 . . . . 0.0 111.232 174.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.4 t -135.86 138.01 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.587 1.955 . . . . 0.0 109.721 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -139.62 147.02 40.49 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 111.919 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -128.18 122.84 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.293 1.437 . . . . 0.0 108.701 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.58 167.48 33.81 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.542 1.068 . . . . 0.0 113.764 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 55.17 37.43 28.89 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.415 1.486 . . . . 0.0 114.397 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -74.87 130.39 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.873 1.669 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.9 mt -103.09 -24.8 13.59 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.755 1.222 . . . . 0.0 113.92 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.19 149.64 24.67 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.136 0.88 . . . . 0.0 113.234 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.08 142.71 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.912 2.085 . . . . 0.0 109.292 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -140.14 148.56 41.83 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 111.008 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.83 118.49 28.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.203 1.001 . . . . 0.0 111.289 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -88.21 171.44 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.895 1.678 . . . . 0.0 110.878 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.26 42.58 0.81 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.098 1.332 . . . . 0.0 114.838 174.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.17 -9.51 0.06 OUTLIER Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.104 1.335 . . . . 0.0 116.102 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.64 150.95 19.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.044 1.922 . . . . 0.0 112.921 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -97.15 145.83 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.876 0.87 . . . . 0.0 110.571 166.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -126.8 147.54 50.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.357 1.863 . . . . 0.0 111.006 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.05 133.15 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.853 1.661 . . . . 0.0 109.445 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.2 m -131.69 131.63 43.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 0.0 112.576 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -90.93 169.4 10.93 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.988 1.315 . . . . 0.0 113.924 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.51 -22.63 13.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.539 2.336 . . . . 0.0 113.48 168.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -106.37 18.17 22.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.222 1.409 . . . . 0.0 113.086 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 61.58 18.34 9.41 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.026 2.13 . . . . 0.0 115.009 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.11 132.73 41.45 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.974 -1.079 . . . . 0.0 109.732 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -113.46 141.97 46.47 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.936 0.894 . . . . 0.0 112.179 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -131.39 148.82 52.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.157 1.783 . . . . 0.0 110.143 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.7 142.26 36.9 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.028 0.931 . . . . 0.0 113.0 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.98 98.91 6.75 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.702 1.601 . . . . 0.0 112.169 -170.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.46 149.95 87.32 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.701 2.934 . . . . 0.0 114.435 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 6.87 86.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.827 1.203 . . . . 0.0 115.948 171.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 mt -103.6 166.92 10.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.084 1.354 . . . . 0.0 112.183 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.75 161.85 36.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.095 1.758 . . . . 0.0 110.389 160.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.35 110.8 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.74 -49.65 4.49 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.767 1.175 . . . . 0.0 113.168 -173.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -148.55 138.0 21.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.674 1.189 . . . . 0.0 111.692 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.11 136.71 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.42 1.488 . . . . 0.0 109.711 164.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -136.43 110.15 8.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.999 1.72 . . . . 0.0 109.466 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.99 -10.82 52.23 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.63 1.172 . . . . 0.0 113.513 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -44.7 31.44 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 167.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -76.12 -28.83 57.62 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.408 1.083 . . . . 0.0 113.203 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 37.44 49.56 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.447 1.022 . . . . 0.0 112.917 -172.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.79 140.19 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.963 1.305 . . . . 0.0 111.938 -170.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.58 106.06 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.858 1.663 . . . . 0.0 109.634 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 t -90.24 125.09 35.37 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 111.258 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -94.12 150.22 20.52 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.849 1.26 . . . . 0.0 111.011 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.89 156.42 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.472 1.509 . . . . 0.0 110.841 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -73.53 114.97 12.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.445 1.098 . . . . 0.0 110.571 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -90.18 135.21 33.81 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.541 -0.724 . . . . 0.0 111.092 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -131.38 13.6 5.05 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -157.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.59 -22.74 66.13 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.362 1.065 . . . . 0.0 112.694 168.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.934 2.093 . . . . 0.0 113.749 172.374 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.298 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.34 156.14 42.51 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 124.444 3.429 . . . . 0.0 114.57 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.48 -178.51 40.21 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.328 0.966 . . . . 0.0 113.524 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.6 m 54.92 30.67 14.4 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.08 1.752 . . . . 0.0 114.613 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mmm -65.61 151.15 47.16 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.149 1.38 . . . . 0.0 113.738 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 9.3 t -145.52 143.85 30.2 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.429 1.892 . . . . 0.0 109.328 166.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -154.32 158.12 39.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.923 1.689 . . . . 0.0 110.274 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.2 -178.59 4.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.735 1.214 . . . . 0.0 112.528 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -119.68 134.09 55.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.366 1.066 . . . . 0.0 111.61 165.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.09 138.83 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.919 1.288 . . . . 0.0 110.174 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.47 142.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.369 1.068 . . . . 0.0 112.342 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -151.02 170.47 19.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.13 2.172 . . . . 0.0 110.627 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.6 m -131.71 132.46 43.92 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.973 0.909 . . . . 0.0 111.406 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -71.83 164.36 26.16 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.195 1.798 . . . . 0.0 112.844 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.28 -26.76 67.99 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.121 0.968 . . . . 0.0 113.309 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -70.72 -7.22 43.16 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.204 1.802 . . . . 0.0 113.664 172.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.07 4.35 90.53 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.531 1.539 . . . . 0.0 113.758 -170.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.39 129.96 9.44 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.765 1.174 . . . . 0.0 112.682 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -73.55 142.65 46.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.677 0.791 . . . . 0.0 110.726 177.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -131.33 133.3 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.855 1.662 . . . . 0.0 108.857 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -140.68 140.25 34.92 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.739 -173.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.13 120.07 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.827 1.651 . . . . 0.0 109.081 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.74 170.39 40.06 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.897 0.761 . . . . 0.0 114.113 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 58.12 31.99 21.43 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.868 1.667 . . . . 0.0 114.193 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.98 124.67 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 111.663 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -95.3 -38.94 10.3 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.391 1.476 . . . . 0.0 111.643 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -148.23 154.66 40.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.296 1.038 . . . . 0.0 112.914 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -139.62 136.48 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.063 1.345 . . . . 0.0 109.177 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -118.78 146.34 44.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.025 1.73 . . . . 0.0 111.6 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.86 114.77 28.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.509 1.124 . . . . 0.0 109.714 161.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -82.48 -177.35 6.65 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 0.0 110.977 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -10.07 36.14 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.51 20.14 0.17 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 118.559 1.179 . . . . 0.0 115.67 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.39 155.71 27.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.115 1.457 . . . . 0.0 112.226 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -99.41 142.45 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.284 1.033 . . . . 0.0 110.511 165.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -125.57 137.12 53.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.245 1.818 . . . . 0.0 110.917 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.3 132.89 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.457 1.903 . . . . 0.0 109.458 -172.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -134.08 129.21 35.66 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.477 0.711 . . . . 0.0 112.184 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.0 p -81.32 164.55 22.1 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.949 1.299 . . . . 0.0 112.872 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -67.02 -14.86 63.31 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -83.96 3.93 32.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.544 1.537 . . . . 0.0 113.755 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t0 62.12 28.72 17.3 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.495 1.918 . . . . 0.0 114.667 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -85.3 141.5 30.02 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.27 -0.894 . . . . 0.0 110.332 166.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -123.21 142.32 51.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.777 1.231 . . . . 0.0 113.183 -173.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -133.09 149.76 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.352 1.861 . . . . 0.0 110.09 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.34 145.38 33.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.739 0.815 . . . . 0.0 113.134 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -142.61 105.76 5.43 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.347 1.459 . . . . 0.0 111.578 -170.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.7 148.63 59.41 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.275 2.65 . . . . 0.0 112.695 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 -4.71 56.19 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.34 1.448 . . . . 0.0 115.574 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.2 mt -88.19 164.83 15.46 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.903 1.351 . . . . 0.0 112.418 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 158.99 43.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.408 2.283 . . . . 0.0 109.925 164.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 54.4 mt -73.05 113.69 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.52 -37.93 6.82 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.532 1.063 . . . . 0.0 113.775 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -145.02 148.63 33.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.426 1.49 . . . . 0.0 112.287 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.98 105.25 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 127.035 2.134 . . . . 0.0 107.436 168.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -108.6 88.29 2.69 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.507 1.523 . . . . 0.0 110.797 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.56 HD22 ' H ' ' B' ' 53' ' ' LEU . 1.3 mm? -63.36 -34.16 77.12 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.622 0.769 . . . . 0.0 111.081 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.31 -36.78 66.57 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.181 1.792 . . . . 0.0 113.563 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 27.9 m -101.91 -18.61 15.62 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.94 33.52 62.67 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.079 0.847 . . . . 0.0 113.18 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -131.08 141.99 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.04 1.336 . . . . 0.0 111.577 -171.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.5 mt -124.35 135.47 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.68 1.592 . . . . 0.0 108.396 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -125.6 128.9 48.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.054 0.942 . . . . 0.0 111.11 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.74 153.51 18.67 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.864 0.866 . . . . 0.0 112.594 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -137.09 161.87 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.558 1.943 . . . . 0.0 110.542 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -77.12 122.41 24.95 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.598 -0.689 . . . . 0.0 110.245 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -67.55 116.82 8.71 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.833 0.853 . . . . 0.0 112.302 -171.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -138.14 38.83 2.32 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.72 1.608 . . . . 0.0 111.836 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -71.91 -10.77 60.24 Favored 'General case' 0 CA--C 1.554 1.099 0 O-C-N 120.702 -1.249 . . . . 0.0 114.106 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 . . . . . 0 C--O 1.252 1.208 0 C-N-CA 126.468 1.907 . . . . 0.0 114.213 173.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 112.195 -0.362 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -74.07 -18.15 21.48 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.565 2.843 . . . . 0.0 114.485 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.99 -158.45 51.16 Favored Glycine 0 CA--C 1.537 1.459 0 CA-C-N 119.005 0.82 . . . . 0.0 113.042 -171.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.5 m -64.55 130.66 44.52 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.056 0.943 . . . . 0.0 112.457 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.5 mtp -93.21 147.11 23.18 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.788 1.235 . . . . 0.0 111.764 173.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.2 m -134.83 170.75 15.38 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.631 2.373 . . . . 0.0 109.603 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.6 mtp -136.58 149.21 47.94 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.724 1.61 . . . . 0.0 110.801 171.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.77 173.54 13.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.772 1.229 . . . . 0.0 111.517 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -111.71 144.9 40.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.149 0.98 . . . . 0.0 111.742 163.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.64 142.74 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.329 1.052 . . . . 0.0 109.284 165.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.42 139.46 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.881 1.273 . . . . 0.0 110.842 170.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.47 165.19 35.86 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.671 1.588 . . . . 0.0 111.564 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -135.02 131.98 37.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.873 0.869 . . . . 0.0 110.498 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -67.17 163.53 20.08 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.507 1.523 . . . . 0.0 112.141 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.11 -26.26 68.19 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.813 0.845 . . . . 0.0 112.854 170.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -78.43 -4.54 48.85 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.933 1.693 . . . . 0.0 114.065 172.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.89 77.47 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.581 1.562 . . . . 0.0 114.936 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.98 116.52 4.47 Favored Glycine 0 CA--C 1.537 1.425 0 CA-C-N 118.318 1.059 . . . . 0.0 111.655 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -85.44 139.06 31.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.07 0.948 . . . . 0.0 111.779 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -139.74 143.74 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.891 1.676 . . . . 0.0 110.302 -173.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -140.54 149.74 42.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.166 0.986 . . . . 0.0 112.478 172.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.94 120.38 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.793 1.637 . . . . 0.0 108.376 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 173.04 40.96 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.68 1.133 . . . . 0.0 113.969 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 57.99 34.03 23.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.592 1.557 . . . . 0.0 113.964 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -76.14 131.96 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.291 1.437 . . . . 0.0 110.655 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.1 mt -101.19 -21.12 15.01 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.209 1.004 . . . . 0.0 113.423 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -160.84 151.81 18.7 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.65 1.113 . . . . 0.0 113.619 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.22 133.26 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.542 1.937 . . . . 0.0 109.403 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -131.71 123.94 28.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 110.935 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.45 137.58 32.23 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.614 0.721 . . . . 0.0 111.37 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -112.95 11.45 19.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.481 1.913 . . . . 0.0 112.09 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.25 -60.54 2.3 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 126.656 2.074 . . . . 0.0 112.83 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -6.29 79.28 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.802 1.192 . . . . 0.0 114.527 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.09 166.19 26.14 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.902 1.681 . . . . 0.0 112.345 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.0 t -121.76 142.91 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.056 1.342 . . . . 0.0 110.851 162.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -120.86 147.46 45.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.888 2.075 . . . . 0.0 110.884 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -139.65 135.4 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.241 1.817 . . . . 0.0 109.369 -170.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.3 m -131.86 132.75 43.94 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.882 0.764 . . . . 0.0 112.238 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -91.18 167.17 12.53 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.93 -27.73 45.6 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.108 2.163 . . . . 0.0 113.359 168.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.77 19.63 16.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.54 1.536 . . . . 0.0 113.547 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.4 t0 61.64 25.0 15.0 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.922 2.089 . . . . 0.0 115.373 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -83.81 129.0 34.94 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.853 -1.154 . . . . 0.0 110.192 167.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -104.04 139.82 38.61 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.091 0.956 . . . . 0.0 111.281 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -129.47 148.26 51.36 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.075 1.75 . . . . 0.0 109.748 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.36 140.87 32.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.709 0.804 . . . . 0.0 111.763 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -139.18 112.31 8.0 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.039 1.336 . . . . 0.0 110.763 -171.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -73.22 149.5 45.85 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.949 2.433 . . . . 0.0 112.499 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.21 86.2 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.03 1.3 . . . . 0.0 115.057 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -105.72 163.12 12.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.666 1.233 . . . . 0.0 113.165 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.6 162.05 36.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.219 2.208 . . . . 0.0 110.328 167.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mt -78.65 122.19 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 120.892 -1.13 . . . . 0.0 110.05 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -110.54 -29.07 3.77 Favored Glycine 0 N--CA 1.477 1.393 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.57 144.67 31.42 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.754 1.222 . . . . 0.0 111.603 179.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.9 t -140.86 131.8 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.602 1.561 . . . . 0.0 108.909 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -147.76 105.04 3.65 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.743 1.217 . . . . 0.0 110.475 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.35 -26.81 38.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.446 1.498 . . . . 0.0 112.179 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -63.37 -47.13 83.36 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.518 1.527 . . . . 0.0 110.708 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 m -87.41 -20.19 27.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 174.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.56 43.69 18.42 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.282 0.944 . . . . 0.0 113.861 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.8 t -134.78 139.86 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.054 1.341 . . . . 0.0 111.588 -173.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.26 126.12 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.558 1.943 . . . . 0.0 108.88 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -113.49 129.25 56.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.301 1.04 . . . . 0.0 111.567 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -97.79 152.61 18.97 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.169 0.987 . . . . 0.0 112.15 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.24 158.61 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.874 2.07 . . . . 0.0 111.059 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -77.35 124.23 27.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.499 0.719 . . . . 0.0 111.008 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 144.82 25.35 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.434 1.494 . . . . 0.0 111.332 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.3 40.19 0.93 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.514 1.126 . . . . 0.0 113.579 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -73.75 -0.58 16.11 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.295 1.438 . . . . 0.0 114.661 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.344 0 C-N-CA 126.986 2.114 . . . . 0.0 111.274 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.014 -0.435 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -67.08 159.68 50.94 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.892 3.061 . . . . 0.0 112.634 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.95 -13.23 66.29 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 123.93 0.776 . . . . 0.0 114.534 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 76.8 p -78.95 -30.21 44.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.158 1.383 . . . . 0.0 114.392 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm -82.41 156.16 24.3 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.71 -174.02 4.5 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.099 1.759 . . . . 0.0 110.691 172.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 164.87 29.46 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.493 1.117 . . . . 0.0 111.861 172.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.88 176.12 8.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.099 1.76 . . . . 0.0 113.113 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -128.22 144.66 51.14 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.903 1.681 . . . . 0.0 111.056 165.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -108.74 143.08 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.395 1.478 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -127.23 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.019 1.328 . . . . 0.0 111.715 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -154.74 169.78 23.12 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.413 1.885 . . . . 0.0 111.746 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.8 m -134.58 134.77 41.68 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.653 0.781 . . . . 0.0 111.321 177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.4 162.27 25.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.24 1.416 . . . . 0.0 112.604 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -27.01 68.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.933 0.893 . . . . 0.0 112.907 169.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -75.38 -4.44 39.42 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.868 1.667 . . . . 0.0 114.013 172.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.7 6.62 79.83 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.38 1.467 . . . . 0.0 114.579 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.54 121.15 5.97 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-N 118.647 1.223 . . . . 0.0 112.419 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -71.32 135.87 47.58 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.394 1.077 . . . . 0.0 110.823 173.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -132.91 138.27 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.808 1.643 . . . . 0.0 110.418 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -134.93 143.55 46.97 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.119 1.368 . . . . 0.0 111.058 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -132.62 120.79 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.214 1.406 . . . . 0.0 108.98 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.7 30.35 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.883 1.23 . . . . 0.0 114.378 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 55.79 33.96 22.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.187 1.795 . . . . 0.0 114.33 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.84 130.99 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.964 1.706 . . . . 0.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -97.12 -27.77 14.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.75 152.27 29.68 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.8 t -137.87 135.48 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.526 1.93 . . . . 0.0 109.869 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -135.07 104.7 6.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.171 1.388 . . . . 0.0 110.623 -165.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 119.43 30.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.794 0.838 . . . . 0.0 112.015 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -102.67 5.05 38.83 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.257 1.823 . . . . 0.0 113.42 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.96 -45.83 1.71 Allowed Glycine 0 CA--C 1.538 1.497 0 C-N-CA 126.583 2.04 . . . . 0.0 114.57 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.25 -17.84 78.97 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.321 0.962 . . . . 0.0 114.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.24 165.81 26.3 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.914 1.686 . . . . 0.0 112.086 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -113.66 140.56 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.471 1.108 . . . . 0.0 110.581 160.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -116.29 143.82 45.04 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.498 1.919 . . . . 0.0 110.153 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -134.41 137.93 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 109.647 -171.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.9 m -133.57 129.41 36.98 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.015 0.825 . . . . 0.0 112.626 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -85.72 167.32 15.38 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.474 1.109 . . . . 0.0 113.505 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.02 -27.66 63.74 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.941 1.697 . . . . 0.0 112.807 170.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -88.22 11.9 15.23 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.814 1.645 . . . . 0.0 113.549 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 60.84 21.64 11.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.255 2.222 . . . . 0.0 114.912 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.69 127.02 31.99 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.807 -1.183 . . . . 0.0 110.138 169.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -99.51 139.49 35.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.891 0.876 . . . . 0.0 112.301 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -125.74 149.74 48.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.177 1.791 . . . . 0.0 109.786 171.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.85 140.63 29.9 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.55 0.74 . . . . 0.0 112.63 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.29 111.42 6.5 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.745 1.218 . . . . 0.0 111.106 -170.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.53 149.49 55.83 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.099 2.533 . . . . 0.0 112.898 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.93 7.07 86.39 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.589 1.566 . . . . 0.0 115.439 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.15 165.91 11.49 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.08 1.44 . . . . 0.0 113.853 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.28 166.29 25.94 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.488 2.315 . . . . 0.0 110.239 163.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -76.61 126.75 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.431 -0.793 . . . . 0.0 109.984 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.42 -53.23 1.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.392 1.472 . . . . 0.0 113.664 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -143.75 149.84 37.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.612 1.165 . . . . 0.0 111.94 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -137.35 104.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.318 1.447 . . . . 0.0 109.164 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -97.59 105.83 18.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.357 1.063 . . . . 0.0 110.073 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.429 HD22 ' H ' ' B' ' 53' ' ' LEU . 1.6 mm? -71.85 -26.24 62.29 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.812 -1.18 . . . . 0.0 110.715 167.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -57.9 -26.49 62.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.739 2.016 . . . . 0.0 113.809 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 97.4 p -135.75 -7.83 2.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.06 1.344 . . . . 0.0 114.573 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.94 7.94 86.61 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.26 1.41 . . . . 0.0 114.965 -174.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.27 129.38 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.045 1.922 . . . . 0.0 112.111 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.3 mt -116.22 133.64 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.338 1.855 . . . . 0.0 109.094 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 86.3 p -112.13 143.48 43.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -107.69 152.6 24.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.351 1.061 . . . . 0.0 111.557 170.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.99 158.55 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.187 1.795 . . . . 0.0 111.057 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -75.1 115.7 15.02 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -76.35 136.22 39.54 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.538 1.135 . . . . 0.0 112.198 -175.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -101.5 5.11 41.74 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.095 1.758 . . . . 0.0 113.346 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -71.12 -17.73 62.55 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.151 1.78 . . . . 0.0 114.05 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.63 1.972 . . . . 0.0 112.167 -176.246 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -61.42 160.09 28.93 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.061 3.174 . . . . 0.0 115.072 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.8 -171.19 36.68 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.382 0.991 . . . . 0.0 114.394 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 7.6 t 60.35 -166.74 0.19 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.562 1.545 . . . . 0.0 113.913 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.9 mtp 65.3 156.35 0.09 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 128.901 2.88 . . . . 0.0 115.668 -174.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.8 t -150.52 164.36 36.17 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.761 2.025 . . . . 0.0 109.39 166.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.04 157.46 43.62 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.154 1.382 . . . . 0.0 110.774 171.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.69 -176.15 3.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 -171.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -126.57 141.42 51.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 111.715 165.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.3 144.2 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.181 0.992 . . . . 0.0 109.778 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -135.46 138.25 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.173 1.389 . . . . 0.0 112.386 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.95 166.26 32.08 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.915 2.086 . . . . 0.0 110.453 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -133.46 130.95 39.31 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.337 -0.852 . . . . 0.0 111.361 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -74.43 162.21 29.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.786 1.634 . . . . 0.0 112.552 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -21.87 66.83 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.286 1.034 . . . . 0.0 113.036 172.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -73.74 -2.89 25.23 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.104 1.362 . . . . 0.0 113.441 171.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.12 5.59 89.55 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.588 1.566 . . . . 0.0 114.241 -175.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.25 119.86 5.16 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.688 1.137 . . . . 0.0 112.102 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -75.91 141.27 42.36 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.178 0.989 . . . . 0.0 111.086 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.77 135.85 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 126.599 1.96 . . . . 0.0 108.931 -177.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -136.85 146.73 45.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.763 1.225 . . . . 0.0 111.811 -175.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.4 mt -131.12 122.25 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.213 1.405 . . . . 0.0 108.856 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.03 166.61 29.95 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.762 1.172 . . . . 0.0 114.049 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.8 35.96 22.83 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.442 1.897 . . . . 0.0 113.859 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.03 126.25 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.168 1.387 . . . . 0.0 110.746 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -107.38 -22.33 12.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.557 1.143 . . . . 0.0 112.821 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -154.21 148.23 25.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.521 1.128 . . . . 0.0 113.454 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.72 137.78 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.224 1.81 . . . . 0.0 109.976 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -138.21 138.84 38.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.656 1.182 . . . . 0.0 112.001 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.76 120.4 35.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 110.772 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -89.81 -179.31 5.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.764 1.625 . . . . 0.0 110.516 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 79.65 0.26 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.584 1.087 . . . . 0.0 112.913 172.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.13 25.89 30.16 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.107 1.337 . . . . 0.0 114.83 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.43 160.41 43.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.673 1.589 . . . . 0.0 111.665 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.47 144.0 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 124.387 1.075 . . . . 0.0 111.061 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -121.34 141.74 50.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.231 1.812 . . . . 0.0 111.138 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.6 t -135.33 132.21 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.951 2.1 . . . . 0.0 109.776 -173.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.0 m -134.81 133.22 39.57 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.244 0.545 . . . . 0.0 111.768 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.4 p -85.9 165.39 16.82 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 113.645 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.38 -20.02 26.76 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.452 1.901 . . . . 0.0 113.419 169.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -107.6 24.04 13.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.757 1.623 . . . . 0.0 112.955 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 63.21 17.23 10.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.897 2.079 . . . . 0.0 115.895 172.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.96 133.65 36.87 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.588 -1.32 . . . . 0.0 110.312 168.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -115.15 140.8 48.77 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.434 1.093 . . . . 0.0 112.168 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -132.43 147.51 52.38 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.64 1.976 . . . . 0.0 109.879 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.06 144.68 36.97 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.592 0.757 . . . . 0.0 112.499 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -140.31 92.68 9.28 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.775 1.63 . . . . 0.0 111.266 -171.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.04 146.29 94.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.106 2.538 . . . . 0.0 112.768 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.51 4.16 90.46 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.325 1.441 . . . . 0.0 114.705 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.37 166.42 10.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.633 1.217 . . . . 0.0 112.431 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 160.76 39.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.183 2.193 . . . . 0.0 110.331 165.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -72.42 115.45 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.36 -0.838 . . . . 0.0 108.744 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.0 -45.14 3.16 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.508 1.051 . . . . 0.0 113.894 -175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -142.9 149.87 39.04 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.657 1.183 . . . . 0.0 111.635 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.26 126.0 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 126.584 1.953 . . . . 0.0 108.314 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -136.94 100.7 4.36 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.219 1.008 . . . . 0.0 110.523 -173.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.648 1.179 . . . . 0.0 112.678 -174.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -72.2 -41.3 67.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.166 1.386 . . . . 0.0 111.842 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.3 t -80.41 -30.8 37.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.479 1.112 . . . . 0.0 112.485 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 31.72 42.93 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.152 1.358 . . . . 0.0 113.041 -171.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.4 t -129.96 143.43 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.865 1.266 . . . . 0.0 111.807 -168.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -122.32 119.75 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.209 1.803 . . . . 0.0 109.022 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -97.98 129.89 44.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.128 0.971 . . . . 0.0 110.792 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.0 mt -98.59 151.52 20.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.808 0.843 . . . . 0.0 111.694 172.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.7 159.12 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.751 1.62 . . . . 0.0 111.31 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -76.84 114.84 16.06 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.292 1.437 . . . . 0.0 111.388 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -83.32 147.67 27.8 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.054 1.342 . . . . 0.0 111.267 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -118.64 0.61 11.54 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.98 1.312 . . . . 0.0 114.025 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -75.8 -12.03 60.1 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.193 1.797 . . . . 0.0 113.032 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ptt85 . . . . . 0 N--CA 1.484 1.226 0 C-N-CA 127.52 2.328 . . . . 0.0 113.679 175.703 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 CA-C-O 120.016 -0.324 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.49 -12.51 18.66 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.209 3.273 . . . . 0.0 114.22 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.98 -141.9 22.0 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 119.015 0.825 . . . . 0.0 112.753 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 80.4 p -72.84 -21.56 60.94 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm -81.65 156.45 25.1 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.432 1.093 . . . . 0.0 112.02 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 91.5 m -121.55 173.94 7.09 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.957 1.703 . . . . 0.0 110.938 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.85 165.48 28.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.678 1.591 . . . . 0.0 110.288 168.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.13 -179.73 6.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.158 1.383 . . . . 0.0 112.053 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -118.37 147.37 43.6 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.426 1.09 . . . . 0.0 112.091 161.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -97.17 143.38 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.052 1.341 . . . . 0.0 110.359 170.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.74 137.76 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.483 1.513 . . . . 0.0 111.398 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.06 158.06 43.6 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.289 1.836 . . . . 0.0 110.985 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.2 m -133.68 126.71 31.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.874 0.87 . . . . 0.0 111.13 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -71.16 159.45 34.65 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.106 1.362 . . . . 0.0 112.75 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.96 -26.86 69.03 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.355 1.062 . . . . 0.0 112.849 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -72.9 -4.17 30.27 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.562 1.545 . . . . 0.0 113.519 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.04 4.1 82.14 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.846 1.689 . . . . 0.0 114.303 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.72 113.4 3.63 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 118.554 1.177 . . . . 0.0 112.096 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -81.21 142.08 33.54 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.147 0.979 . . . . 0.0 111.387 174.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -133.19 137.39 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.957 1.703 . . . . 0.0 109.768 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -134.91 144.52 47.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.757 1.223 . . . . 0.0 111.42 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -129.0 119.32 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.452 1.501 . . . . 0.0 108.07 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.64 171.31 37.77 Favored Glycine 0 N--CA 1.472 1.066 0 C-N-CA 124.361 0.981 . . . . 0.0 113.585 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 57.16 31.8 20.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.239 1.416 . . . . 0.0 114.195 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.36 127.17 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.164 1.786 . . . . 0.0 110.762 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tt -97.28 -35.3 10.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.365 1.466 . . . . 0.0 112.345 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -153.76 156.02 36.97 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -136.85 139.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.983 2.113 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -139.98 135.26 32.55 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.033 0.933 . . . . 0.0 111.963 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.81 139.74 30.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.523 1.129 . . . . 0.0 110.885 168.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -112.31 11.55 20.11 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.826 1.65 . . . . 0.0 113.526 -175.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.11 36.86 72.36 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.97 1.271 . . . . 0.0 113.117 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.95 -12.93 0.1 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.325 1.441 . . . . 0.0 114.043 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.68 162.06 41.75 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.657 1.983 . . . . 0.0 110.828 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -114.03 138.83 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.407 1.083 . . . . 0.0 110.942 167.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.71 144.02 42.93 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.14 2.176 . . . . 0.0 110.603 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 62.7 t -135.61 127.13 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.942 1.697 . . . . 0.0 109.313 -174.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.0 m -128.76 129.04 45.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.302 1.041 . . . . 0.0 111.481 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.1 p -86.21 164.06 17.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.845 1.258 . . . . 0.0 112.752 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -69.48 -10.7 59.2 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 171.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -85.94 7.21 25.15 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.611 1.564 . . . . 0.0 112.709 168.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.309 1.9 p30 58.46 13.85 2.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 129.139 2.976 . . . . 0.0 116.099 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -70.1 141.56 52.72 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.105 -0.997 . . . . 0.0 110.682 164.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -129.88 144.88 51.54 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.916 1.286 . . . . 0.0 112.077 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -132.77 150.33 52.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.742 2.017 . . . . 0.0 109.596 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.1 144.02 33.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.639 0.776 . . . . 0.0 112.678 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.01 110.07 8.47 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.223 1.409 . . . . 0.0 110.967 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -72.12 147.82 49.18 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.022 2.481 . . . . 0.0 112.111 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.85 3.48 90.49 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.842 1.21 . . . . 0.0 114.857 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -98.06 164.52 12.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.522 1.161 . . . . 0.0 113.042 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.69 159.75 41.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.416 2.286 . . . . 0.0 110.17 165.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.89 114.2 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.05 -42.68 3.47 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.252 0.93 . . . . 0.0 114.249 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -146.33 145.26 30.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.784 1.234 . . . . 0.0 112.116 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -136.07 114.18 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.59 1.556 . . . . 0.0 109.1 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.38 93.33 4.24 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.369 1.468 . . . . 0.0 109.775 -173.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.99 -34.61 73.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.623 -0.673 . . . . 0.0 112.423 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.44 -45.18 94.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.314 1.045 . . . . 0.0 112.324 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 m -81.96 -25.51 34.76 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.644 1.178 . . . . 0.0 113.635 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.57 39.8 55.36 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.388 0.994 . . . . 0.0 113.283 -171.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.13 138.43 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.471 1.108 . . . . 0.0 111.837 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.32 119.79 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.058 1.743 . . . . 0.0 108.736 174.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.7 m -102.19 127.28 49.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.294 1.037 . . . . 0.0 111.211 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 mt -97.43 151.37 20.04 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.853 0.861 . . . . 0.0 111.451 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.58 160.04 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.048 1.739 . . . . 0.0 110.986 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -74.88 120.83 20.95 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.823 0.849 . . . . 0.0 111.473 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.91 142.89 51.1 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.211 1.404 . . . . 0.0 112.443 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -122.31 6.18 9.65 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.873 1.269 . . . . 0.0 114.394 -170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -69.15 -42.74 75.56 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.32 1.048 . . . . 0.0 110.368 173.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.374 1.87 . . . . 0.0 112.782 -179.592 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 CA-C-O 118.705 -1.053 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -62.5 137.1 62.65 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.937 2.425 . . . . 0.0 111.653 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 76.31 6.58 83.86 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.637 1.113 . . . . 0.0 115.512 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 97.6 p -138.51 -40.01 0.51 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.174 1.487 . . . . 0.0 113.547 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp -81.75 156.08 25.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.816 0.847 . . . . 0.0 111.483 163.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.2 t -150.28 172.89 14.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.126 1.37 . . . . 0.0 110.946 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 ptm -151.98 156.57 40.28 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.988 1.715 . . . . 0.0 111.197 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.94 -176.12 4.26 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 112.373 -172.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -124.47 148.36 47.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.351 1.06 . . . . 0.0 112.028 163.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.72 143.7 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.358 1.063 . . . . 0.0 110.427 171.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.63 138.27 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.479 1.511 . . . . 0.0 111.638 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.34 162.97 39.96 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.417 1.887 . . . . 0.0 111.219 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 m -137.06 131.3 32.57 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.922 0.889 . . . . 0.0 110.608 174.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -67.41 163.02 21.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.35 1.46 . . . . 0.0 112.797 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -27.01 68.41 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.142 0.977 . . . . 0.0 112.734 170.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -76.9 -2.56 34.21 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.414 1.485 . . . . 0.0 113.935 173.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.35 81.15 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.174 1.368 . . . . 0.0 114.592 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.66 109.92 2.92 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 118.7 1.25 . . . . 0.0 112.241 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -75.05 138.06 41.9 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.149 0.979 . . . . 0.0 111.411 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -136.82 137.32 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.019 1.728 . . . . 0.0 109.927 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -133.42 143.84 49.14 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.429 1.092 . . . . 0.0 111.666 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -122.68 118.93 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.355 1.462 . . . . 0.0 108.471 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 167.54 36.3 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.566 1.079 . . . . 0.0 114.391 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.26 34.42 20.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.087 1.755 . . . . 0.0 114.498 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.75 126.02 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 110.202 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 tp -107.16 -27.33 10.64 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.647 1.179 . . . . 0.0 112.767 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -155.1 158.27 38.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.332 1.053 . . . . 0.0 112.806 167.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.38 142.4 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.481 1.913 . . . . 0.0 110.341 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -124.15 152.48 42.77 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.72 2.008 . . . . 0.0 112.156 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.61 139.58 50.35 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.124 1.37 . . . . 0.0 110.659 162.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -113.65 12.9 18.55 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.657 1.583 . . . . 0.0 112.293 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.64 -34.43 2.94 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 126.482 1.992 . . . . 0.0 115.054 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.1 -0.96 22.45 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.473 1.511 . . . . 0.0 114.664 171.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.7 168.86 26.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.754 1.622 . . . . 0.0 111.674 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m -123.28 159.39 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.028 0.931 . . . . 0.0 112.52 162.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -135.11 134.19 40.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.564 1.946 . . . . 0.0 110.234 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -122.86 130.13 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.609 1.964 . . . . 0.0 109.862 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -126.0 128.5 47.56 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.912 0.885 . . . . 0.0 111.335 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -87.39 165.67 15.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 122.171 0.986 . . . . 0.0 113.076 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.23 -20.78 44.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.77 2.028 . . . . 0.0 113.506 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.34 22.11 16.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.08 1.752 . . . . 0.0 113.214 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.82 19.79 11.73 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.999 2.12 . . . . 0.0 115.549 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.88 141.01 40.76 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.019 -1.051 . . . . 0.0 110.193 166.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -124.4 135.78 53.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.517 1.127 . . . . 0.0 111.294 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -129.15 142.89 50.74 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.817 1.647 . . . . 0.0 109.812 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.17 44.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.793 0.837 . . . . 0.0 112.525 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.85 93.25 8.44 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.41 1.084 . . . . 0.0 111.244 -173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.03 143.16 94.71 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.351 2.701 . . . . 0.0 111.894 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.1 1.58 90.04 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.44 164.09 11.94 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.37 1.085 . . . . 0.0 111.646 167.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.07 157.67 45.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.748 2.019 . . . . 0.0 111.152 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.73 107.35 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.45 -42.93 5.05 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.08 0.848 . . . . 0.0 113.763 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -146.87 149.65 33.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.52 1.528 . . . . 0.0 111.45 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -132.78 128.68 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.712 2.005 . . . . 0.0 108.425 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -129.69 110.08 11.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.787 1.235 . . . . 0.0 109.912 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.68 -24.04 45.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.244 1.418 . . . . 0.0 112.951 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -79.89 -40.97 27.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.674 1.19 . . . . 0.0 111.455 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -79.92 -26.07 40.28 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.23 43.86 30.68 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.127 0.87 . . . . 0.0 112.96 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.6 t -132.81 138.87 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.11 1.364 . . . . 0.0 111.187 -171.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.7 mt -123.41 117.08 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.861 1.665 . . . . 0.0 108.841 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.5 m -99.84 119.66 38.53 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.71 1.204 . . . . 0.0 110.669 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.66 146.73 24.91 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.66 0.784 . . . . 0.0 111.353 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.83 159.06 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.905 1.682 . . . . 0.0 111.233 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.46 115.78 11.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.022 0.929 . . . . 0.0 112.17 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.47 144.41 28.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.413 1.085 . . . . 0.0 111.96 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -96.07 6.16 49.47 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.538 1.535 . . . . 0.0 113.378 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -80.33 -4.47 53.56 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.682 1.993 . . . . 0.0 114.612 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.152 1.781 . . . . 0.0 112.813 175.101 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 CA-C-O 119.732 -0.482 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -60.33 154.63 51.5 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 124.247 3.298 . . . . 0.0 114.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.6 147.63 11.55 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.691 1.139 . . . . 0.0 112.331 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 34.6 t -74.77 127.21 32.6 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.844 0.858 . . . . 0.0 112.43 -176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.2 mmm -134.08 148.78 51.07 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.662 1.985 . . . . 0.0 111.51 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 71.3 m -114.25 19.87 15.99 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.085 1.354 . . . . 0.0 113.262 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.57 132.82 52.72 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.803 0.841 . . . . 0.0 111.782 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.03 174.1 7.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.198 0.999 . . . . 0.0 113.446 -168.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.47 142.68 35.74 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.534 0.734 . . . . 0.0 110.705 152.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.14 141.99 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 109.741 165.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.47 140.18 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.303 1.441 . . . . 0.0 111.675 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.57 162.77 39.0 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.621 . . . . 0.0 111.703 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.1 m -118.65 133.68 55.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.704 1.201 . . . . 0.0 110.969 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -77.47 162.33 27.26 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.42 1.488 . . . . 0.0 112.802 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.16 68.68 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.064 0.946 . . . . 0.0 112.759 166.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -70.14 -10.29 58.33 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.15 1.78 . . . . 0.0 113.737 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.7 5.28 90.08 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 125.187 1.375 . . . . 0.0 114.289 -168.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.4 172.25 55.03 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.567 1.08 . . . . 0.0 112.841 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -117.7 146.09 43.97 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.769 1.228 . . . . 0.0 111.54 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -134.29 140.14 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.368 1.467 . . . . 0.0 109.689 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -138.8 152.54 47.98 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.933 1.293 . . . . 0.0 113.231 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 39.1 mt -130.68 127.19 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.087 1.755 . . . . 0.0 108.45 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.02 171.73 27.42 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.678 1.132 . . . . 0.0 113.676 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.54 37.37 28.79 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.703 1.601 . . . . 0.0 114.461 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.41 121.94 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.701 1.6 . . . . 0.0 112.0 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -87.84 -32.4 19.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 112.994 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.85 154.06 33.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -134.74 141.99 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.795 2.038 . . . . 0.0 109.503 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -135.12 132.3 37.93 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.354 1.062 . . . . 0.0 111.084 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.05 110.33 22.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 110.043 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 172.61 8.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.616 1.566 . . . . 0.0 110.968 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.26 47.03 1.32 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.134 1.349 . . . . 0.0 114.75 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.01 -3.09 0.13 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.011 1.291 . . . . 0.0 115.886 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 160.7 25.45 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.546 1.673 . . . . 0.0 112.173 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.95 144.63 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.731 0.812 . . . . 0.0 110.751 163.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -122.93 146.96 47.14 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.433 1.893 . . . . 0.0 110.694 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.06 131.85 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.014 1.725 . . . . 0.0 109.815 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.9 m -125.99 129.65 49.63 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.983 0.913 . . . . 0.0 112.096 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.9 p -90.73 169.0 11.33 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.03 1.332 . . . . 0.0 114.217 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -56.13 -21.9 25.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.407 2.283 . . . . 0.0 114.283 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -106.9 19.18 20.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.885 1.674 . . . . 0.0 113.498 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 61.54 13.58 5.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.205 2.202 . . . . 0.0 115.675 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -76.12 142.71 41.58 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.892 -1.13 . . . . 0.0 110.716 167.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -122.1 143.01 49.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.307 1.443 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -129.95 151.29 50.66 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.375 1.87 . . . . 0.0 109.938 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.45 148.22 35.78 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.18 102.95 7.35 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 125.724 1.61 . . . . 0.0 111.007 -170.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.23 145.21 59.46 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.135 2.557 . . . . 0.0 112.383 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.64 3.18 78.23 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.887 1.232 . . . . 0.0 115.731 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.33 163.56 13.02 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.771 1.285 . . . . 0.0 112.505 171.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.89 160.6 38.86 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.613 2.365 . . . . 0.0 109.704 168.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.25 119.72 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.96 -41.74 3.23 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.545 1.069 . . . . 0.0 114.857 -175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -150.12 145.6 26.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.444 1.098 . . . . 0.0 112.083 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -133.33 114.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 126.214 1.806 . . . . 0.0 108.883 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -109.59 98.28 7.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.961 1.305 . . . . 0.0 110.792 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.64 -30.92 69.73 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.529 -0.732 . . . . 0.0 111.863 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -64.43 -18.54 64.82 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -122.28 -18.28 6.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.624 1.17 . . . . 0.0 113.935 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.56 42.18 73.45 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.837 0.732 . . . . 0.0 112.775 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -125.47 134.26 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.498 1.119 . . . . 0.0 111.027 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.35 117.31 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.289 1.436 . . . . 0.0 109.063 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.3 t -103.4 129.89 50.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.725 1.21 . . . . 0.0 111.384 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.7 mt -99.34 150.49 22.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.18 0.992 . . . . 0.0 112.206 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.4 161.45 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.311 1.844 . . . . 0.0 111.52 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.78 118.87 14.11 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 111.607 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -59.49 129.49 42.22 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.497 1.519 . . . . 0.0 113.431 -175.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -91.32 0.66 57.48 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -172.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -75.93 -21.07 57.43 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.436 1.094 . . . . 0.0 113.77 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 126.15 1.78 . . . . 0.0 113.38 -176.177 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 CA-C-O 119.786 -0.452 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -59.48 -16.88 38.03 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 124.831 3.687 . . . . 0.0 117.093 -171.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -71.54 -18.41 77.08 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 124.273 0.939 . . . . 0.0 114.419 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.8 p -81.66 164.56 21.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.768 1.227 . . . . 0.0 112.386 174.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -146.86 166.44 26.7 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.35 1.46 . . . . 0.0 111.879 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.9 t -139.43 168.89 18.81 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.243 1.817 . . . . 0.0 110.897 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptm -148.18 150.58 34.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.767 1.627 . . . . 0.0 110.754 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.43 -179.15 5.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.5 1.52 . . . . 0.0 112.527 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -109.06 143.91 37.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.655 0.782 . . . . 0.0 111.732 161.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -91.12 143.09 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.359 1.464 . . . . 0.0 110.115 169.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.75 137.6 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.714 1.206 . . . . 0.0 111.024 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.76 166.32 31.72 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.029 1.732 . . . . 0.0 111.59 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m -135.84 132.41 36.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.149 0.98 . . . . 0.0 111.077 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.93 163.1 22.81 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.831 1.653 . . . . 0.0 112.73 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.38 -27.06 68.81 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.234 1.014 . . . . 0.0 112.658 170.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -74.0 -5.47 41.6 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.519 1.928 . . . . 0.0 114.293 172.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.72 6.19 85.72 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.61 1.576 . . . . 0.0 114.751 -176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.29 115.95 4.3 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 118.181 0.99 . . . . 0.0 112.324 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -80.59 139.84 36.07 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.901 0.88 . . . . 0.0 111.498 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.9 t -134.51 140.68 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 126.371 1.868 . . . . 0.0 110.045 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -137.51 135.14 36.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.829 1.652 . . . . 0.0 110.378 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -131.05 117.78 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.19 1.396 . . . . 0.0 109.093 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.03 167.5 39.96 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.373 0.987 . . . . 0.0 114.22 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 55.93 35.1 24.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.067 1.747 . . . . 0.0 114.863 171.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.2 129.92 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.581 1.552 . . . . 0.0 111.11 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.7 mt -97.52 -30.23 13.0 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.1 0.96 . . . . 0.0 113.308 174.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -157.31 150.51 23.73 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -139.17 139.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.973 1.709 . . . . 0.0 110.077 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -125.35 147.9 48.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.188 1.795 . . . . 0.0 110.146 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.58 105.5 12.52 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.219 1.408 . . . . 0.0 108.854 165.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -72.91 176.8 5.36 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.911 1.284 . . . . 0.0 110.873 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 43.06 0.84 Allowed Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.83 1.205 . . . . 0.0 115.675 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.26 -6.5 0.13 Allowed Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.412 1.325 . . . . 0.0 116.412 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 152.36 22.38 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.394 1.597 . . . . 0.0 111.942 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.9 m -93.77 157.49 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 121.704 -0.623 . . . . 0.0 112.382 167.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -134.18 135.55 43.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.151 2.18 . . . . 0.0 110.084 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -129.1 134.8 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.942 2.097 . . . . 0.0 109.788 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -130.56 130.68 44.39 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.715 0.806 . . . . 0.0 112.557 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.3 p -91.82 166.94 12.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.94 -28.14 55.56 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.777 2.031 . . . . 0.0 113.32 170.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -100.09 18.29 18.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.665 1.586 . . . . 0.0 113.101 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.33 28.57 18.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.888 2.075 . . . . 0.0 114.7 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -79.57 140.75 37.08 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.128 -0.982 . . . . 0.0 110.197 164.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -116.08 136.34 53.11 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.848 1.259 . . . . 0.0 111.398 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -130.49 141.87 50.49 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.605 1.562 . . . . 0.0 109.607 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.09 143.62 30.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.312 0.645 . . . . 0.0 112.666 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -144.55 114.02 5.15 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.351 1.06 . . . . 0.0 111.394 -169.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.86 151.52 84.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.007 2.471 . . . . 0.0 113.876 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.97 12.27 83.41 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.859 1.218 . . . . 0.0 115.784 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 161.42 15.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.464 1.132 . . . . 0.0 113.001 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 164.25 30.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.054 2.142 . . . . 0.0 110.71 166.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.0 mt -74.33 121.83 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.13 -0.982 . . . . 0.0 109.503 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.79 -38.4 3.9 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.777 1.18 . . . . 0.0 114.227 -177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.97 148.37 32.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.149 1.38 . . . . 0.0 111.916 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.59 119.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.031 1.732 . . . . 0.0 107.659 167.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -129.02 100.17 5.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.163 . . . . 0.0 110.196 -174.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.6 mt -85.96 -13.48 47.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.723 1.209 . . . . 0.0 113.438 -174.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -70.69 -46.86 62.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.729 1.212 . . . . 0.0 110.96 167.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.54 -32.19 47.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.826 1.25 . . . . 0.0 113.626 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.74 41.78 10.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.718 1.151 . . . . 0.0 112.914 -172.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.1 141.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.165 1.386 . . . . 0.0 111.538 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -119.13 122.4 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 126.152 1.781 . . . . 0.0 108.173 171.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.5 m -109.0 128.07 54.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.04 0.936 . . . . 0.0 110.899 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.4 mt -106.85 148.27 28.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.665 1.186 . . . . 0.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -136.24 160.25 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 126.248 1.819 . . . . 0.0 111.097 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.21 119.58 13.71 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.492 0.717 . . . . 0.0 112.401 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -68.58 107.81 3.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.923 1.289 . . . . 0.0 110.219 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -90.05 12.11 18.69 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.198 0.999 . . . . 0.0 113.22 -173.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -74.79 -17.24 60.65 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.146 1.778 . . . . 0.0 112.497 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.529 1.931 . . . . 0.0 112.623 178.826 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 119.763 -0.465 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.11 -24.61 20.13 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.487 2.791 . . . . 0.0 113.904 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 66.48 -163.74 42.58 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.526 1.06 . . . . 0.0 113.853 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 37.9 m -67.48 136.65 54.95 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.116 0.966 . . . . 0.0 111.989 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -154.66 169.22 24.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.52 1.528 . . . . 0.0 111.145 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 74.1 m -138.3 169.28 18.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.136 1.375 . . . . 0.0 111.808 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.13 161.03 40.48 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.375 1.47 . . . . 0.0 110.492 167.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.12 178.72 6.86 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.228 1.411 . . . . 0.0 112.367 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -110.08 137.32 48.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 111.582 164.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 t -89.94 143.53 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.683 1.193 . . . . 0.0 110.095 172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -127.72 136.3 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.435 1.494 . . . . 0.0 110.205 166.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -149.58 162.8 39.47 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.104 1.362 . . . . 0.0 111.76 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 42.3 m -134.69 130.1 35.78 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.899 0.88 . . . . 0.0 110.525 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -66.67 163.23 19.44 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.384 1.474 . . . . 0.0 112.509 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.54 67.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.913 0.885 . . . . 0.0 113.1 171.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -77.31 -4.23 43.98 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.1 1.76 . . . . 0.0 114.003 172.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.5 78.06 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.564 1.554 . . . . 0.0 114.763 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.63 115.04 4.06 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 118.614 1.207 . . . . 0.0 112.829 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.87 139.18 34.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.605 1.162 . . . . 0.0 112.171 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t -139.26 146.05 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.08 1.752 . . . . 0.0 110.691 -173.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -127.42 148.16 50.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.018 1.327 . . . . 0.0 111.96 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.3 mt -135.47 120.68 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.183 1.393 . . . . 0.0 109.107 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.31 168.83 37.15 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.53 1.062 . . . . 0.0 114.304 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 56.96 29.5 16.45 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.447 1.499 . . . . 0.0 114.955 173.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 99.7 t -75.04 124.71 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.88 1.272 . . . . 0.0 110.828 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 30.0 tp -94.49 -34.85 12.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.528 1.531 . . . . 0.0 112.426 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -156.47 154.04 29.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 122.101 0.953 . . . . 0.0 112.926 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -138.32 138.42 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.607 1.963 . . . . 0.0 109.503 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -136.77 120.59 17.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.14 20.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.644 1.178 . . . . 0.0 110.478 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -87.85 -176.54 5.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.741 1.616 . . . . 0.0 110.9 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.15 52.17 Favored Glycine 0 CA--C 1.542 1.776 0 O-C-N 120.609 -1.307 . . . . 0.0 116.203 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.58 18.09 0.21 Allowed Glycine 0 CA--C 1.539 1.56 0 CA-C-N 118.43 1.115 . . . . 0.0 115.166 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 158.53 33.49 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 0.0 111.911 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.9 138.68 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.554 0.742 . . . . 0.0 111.362 163.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -106.83 140.0 40.36 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.747 2.019 . . . . 0.0 110.171 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.3 t -131.42 122.15 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 126.498 1.919 . . . . 0.0 109.495 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.4 m -126.58 131.73 51.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.977 0.911 . . . . 0.0 112.172 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.9 p -91.85 161.29 14.91 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.288 1.435 . . . . 0.0 112.348 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -72.3 -4.09 27.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.35 7.48 38.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.231 1.412 . . . . 0.0 113.016 168.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 62.49 18.33 10.31 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.148 2.179 . . . . 0.0 114.463 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.6 138.13 37.34 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.874 -1.141 . . . . 0.0 110.152 163.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -132.37 143.42 49.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.727 1.211 . . . . 0.0 111.763 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -127.08 149.39 49.95 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.407 1.883 . . . . 0.0 109.97 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.85 142.03 42.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.987 0.915 . . . . 0.0 112.502 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -138.95 94.69 9.89 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.155 1.382 . . . . 0.0 111.165 -169.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -59.15 144.55 99.34 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.243 2.629 . . . . 0.0 113.01 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.84 12.99 82.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.618 1.104 . . . . 0.0 115.251 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -110.02 164.4 12.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.723 1.209 . . . . 0.0 112.837 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 162.54 35.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.056 2.142 . . . . 0.0 110.461 165.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.15 123.58 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.862 -1.149 . . . . 0.0 109.087 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.85 -35.44 4.01 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.433 1.016 . . . . 0.0 114.397 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -148.73 156.81 42.88 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.502 1.151 . . . . 0.0 112.163 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.39 124.27 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.179 164.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -120.51 86.96 2.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.273 1.829 . . . . 0.0 109.462 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -69.2 -23.16 63.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.756 0.822 . . . . 0.0 112.206 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -58.83 -28.55 66.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.041 1.736 . . . . 0.0 113.03 167.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -108.84 -24.29 11.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.023 1.729 . . . . 0.0 113.921 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.96 38.22 20.03 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.754 1.168 . . . . 0.0 113.208 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.58 140.83 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.789 1.236 . . . . 0.0 112.268 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.8 mt -123.39 130.5 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.533 1.933 . . . . 0.0 108.929 172.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.0 m -111.28 128.9 56.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.075 0.95 . . . . 0.0 111.015 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.86 152.31 19.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.841 0.856 . . . . 0.0 111.789 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -130.5 162.51 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.456 1.902 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.12 114.61 16.11 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.877 0.871 . . . . 0.0 110.98 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -74.35 146.36 43.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.777 0.831 . . . . 0.0 111.593 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -144.89 36.65 1.15 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.007 1.723 . . . . 0.0 111.827 -166.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.6 -25.5 63.99 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.885 1.674 . . . . 0.0 114.081 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.214 1.806 . . . . 0.0 112.138 -173.015 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -66.6 -25.21 47.53 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.66 2.907 . . . . 0.0 113.737 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.9 -10.5 84.97 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.683 1.135 . . . . 0.0 115.078 174.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.9 m -79.76 136.35 36.73 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.643 1.577 . . . . 0.0 110.141 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ptm -162.08 158.59 25.06 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 130.679 3.592 . . . . 0.0 109.939 -7.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -113.95 171.7 7.44 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.56 1.144 . . . . 0.0 111.937 168.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.46 165.73 26.6 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.309 1.444 . . . . 0.0 110.058 163.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.06 168.46 19.69 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -91.56 139.17 30.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.912 1.685 . . . . 0.0 109.649 163.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.89 141.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.104 1.362 . . . . 0.0 109.765 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.64 143.78 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.239 1.016 . . . . 0.0 112.745 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -150.97 165.73 32.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.162 2.185 . . . . 0.0 110.776 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 m -134.42 132.05 38.89 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.462 0.705 . . . . 0.0 111.495 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -71.56 161.08 31.58 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.872 1.669 . . . . 0.0 112.847 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.11 68.96 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.489 1.116 . . . . 0.0 113.117 172.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -72.92 -6.11 42.99 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.795 1.638 . . . . 0.0 113.906 171.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.43 6.09 74.51 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.758 1.647 . . . . 0.0 114.264 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.97 122.75 6.26 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 118.575 1.188 . . . . 0.0 112.181 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -77.15 146.7 36.96 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.116 0.958 . . . . 0.0 111.305 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -134.84 135.09 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.088 1.755 . . . . 0.0 108.777 177.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.41 152.83 44.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.024 0.93 . . . . 0.0 113.187 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.3 mt -131.74 124.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 0.0 108.527 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.49 170.9 35.9 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.298 0.951 . . . . 0.0 113.51 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.05 31.67 20.99 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.2 t -75.13 131.53 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.948 1.699 . . . . 0.0 111.98 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.1 mt -99.45 -23.23 15.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.6 1.16 . . . . 0.0 114.024 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -152.59 146.81 25.51 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.59 130.13 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.426 1.891 . . . . 0.0 109.008 171.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -139.05 130.48 27.06 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.157 0.983 . . . . 0.0 111.656 -174.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.1 147.84 31.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.677 0.791 . . . . 0.0 110.974 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -130.06 -175.7 3.7 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.37 2.268 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.58 75.86 0.21 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.762 1.172 . . . . 0.0 113.215 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.86 24.63 27.12 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.535 1.541 . . . . 0.0 115.27 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.33 169.12 24.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.902 1.281 . . . . 0.0 112.862 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -124.19 141.93 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 125.009 1.324 . . . . 0.0 111.04 167.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -114.73 146.84 40.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.089 2.156 . . . . 0.0 111.013 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.4 t -139.95 136.72 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 126.611 1.964 . . . . 0.0 109.472 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.6 m -137.25 134.06 35.76 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.883 1.219 . . . . 0.0 112.998 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -87.79 169.68 11.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.918 1.687 . . . . 0.0 113.505 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.75 -12.15 57.54 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 171.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -83.33 3.16 32.75 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.909 1.283 . . . . 0.0 113.014 169.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 63.14 17.43 10.16 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.218 2.207 . . . . 0.0 114.415 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -79.94 116.96 20.38 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.707 -1.245 . . . . 0.0 110.305 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -91.59 143.08 26.94 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.367 1.067 . . . . 0.0 112.146 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -133.43 148.24 51.76 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.902 2.081 . . . . 0.0 109.566 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.51 142.52 31.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.517 0.727 . . . . 0.0 112.472 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -138.53 109.82 8.07 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.166 1.386 . . . . 0.0 111.47 -170.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.22 149.51 45.84 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.013 2.475 . . . . 0.0 112.216 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.65 11.39 84.07 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 124.85 1.214 . . . . 0.0 115.302 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.41 164.22 12.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.938 1.295 . . . . 0.0 112.652 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.25 161.84 35.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.32 2.248 . . . . 0.0 110.099 165.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -73.97 114.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.321 -0.862 . . . . 0.0 108.969 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.51 -55.14 2.1 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.171 0.891 . . . . 0.0 113.178 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -143.94 147.22 33.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.264 1.025 . . . . 0.0 111.683 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.16 126.42 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.688 1.595 . . . . 0.0 108.836 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -135.96 103.74 5.47 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.148 0.979 . . . . 0.0 110.256 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.28 -30.09 54.14 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.214 1.406 . . . . 0.0 112.246 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -65.57 -41.58 92.74 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 0.0 111.39 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 t -80.26 -32.85 38.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.759 1.223 . . . . 0.0 113.177 172.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.28 32.24 29.01 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.529 1.538 . . . . 0.0 114.003 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.07 142.31 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.89 1.276 . . . . 0.0 111.834 -171.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -126.13 132.05 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 127.368 2.267 . . . . 0.0 108.839 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -118.61 123.7 45.64 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.498 1.119 . . . . 0.0 111.274 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.64 152.62 20.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.419 1.088 . . . . 0.0 111.705 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.52 159.03 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.751 1.621 . . . . 0.0 111.809 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -71.12 118.54 14.03 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.727 0.811 . . . . 0.0 111.661 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -70.5 131.23 43.71 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.12 0.968 . . . . 0.0 111.298 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -130.91 21.11 4.96 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.792 1.637 . . . . 0.0 112.571 -171.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -79.78 -30.89 40.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.991 1.716 . . . . 0.0 111.979 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.075 1.75 . . . . 0.0 114.094 176.026 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 CA-C-O 119.091 -0.838 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -60.05 -22.17 68.37 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.058 3.172 . . . . 0.0 115.731 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -73.6 -10.5 79.7 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.748 1.166 . . . . 0.0 114.669 172.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 15.0 m -125.68 -15.53 5.99 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.434 1.494 . . . . 0.0 114.212 -173.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptm -153.72 162.33 41.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.624 1.57 . . . . 0.0 112.221 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 45.0 t -117.42 157.52 26.07 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.275 1.43 . . . . 0.0 110.803 166.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -150.34 155.51 39.78 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.548 1.539 . . . . 0.0 110.527 167.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.34 172.21 11.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.921 1.289 . . . . 0.0 112.896 -171.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -106.64 134.24 50.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.519 1.128 . . . . 0.0 111.06 166.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -99.15 139.12 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.346 1.458 . . . . 0.0 109.931 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.88 139.38 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 111.813 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -151.43 164.75 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.532 1.933 . . . . 0.0 111.019 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m -133.08 132.37 41.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.991 0.916 . . . . 0.0 110.839 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -68.54 163.38 23.67 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.397 1.479 . . . . 0.0 112.448 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.05 -26.39 68.82 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.271 1.029 . . . . 0.0 112.664 168.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -72.36 -7.6 50.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.078 1.751 . . . . 0.0 114.168 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.69 6.88 82.48 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.547 1.546 . . . . 0.0 114.74 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.51 122.3 5.83 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 117.761 0.78 . . . . 0.0 112.118 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -79.76 142.03 35.76 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.788 1.294 . . . . 0.0 111.065 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t -130.17 135.57 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.011 1.724 . . . . 0.0 109.868 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -129.3 135.3 48.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.101 1.361 . . . . 0.0 110.444 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.28 117.77 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.74 1.216 . . . . 0.0 109.071 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.14 165.83 34.7 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.21 0.909 . . . . 0.0 113.77 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 55.44 34.12 22.34 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.756 1.622 . . . . 0.0 114.291 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.96 125.59 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.121 1.369 . . . . 0.0 111.019 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.4 mt -85.73 -31.53 22.37 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.394 1.077 . . . . 0.0 112.767 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -162.19 149.86 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 112.947 -172.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.49 152.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.827 1.651 . . . . 0.0 111.564 172.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -139.27 127.19 22.21 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.883 1.273 . . . . 0.0 111.388 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.89 138.11 34.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.56 1.144 . . . . 0.0 111.225 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -131.09 179.29 6.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.471 1.908 . . . . 0.0 110.861 -177.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.76 28.18 0.23 Allowed Glycine 0 CA--C 1.541 1.701 0 C-N-CA 126.026 1.774 . . . . 0.0 117.137 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.61 -0.1 0.04 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.402 1.477 . . . . 0.0 115.896 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.69 164.51 33.91 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.144 1.972 . . . . 0.0 112.997 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.12 141.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.422 1.489 . . . . 0.0 111.059 164.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -114.5 147.86 38.74 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.741 2.016 . . . . 0.0 111.135 171.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -141.58 136.8 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.454 1.901 . . . . 0.0 110.099 -171.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -134.39 131.64 38.46 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.674 1.124 . . . . 0.0 113.373 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.9 p -86.25 172.37 10.54 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.77 -29.92 12.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.985 2.514 . . . . 0.0 113.372 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -100.47 15.47 27.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.295 1.438 . . . . 0.0 113.003 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.02 21.26 10.38 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.957 2.103 . . . . 0.0 114.586 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.48 125.7 28.52 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.996 -1.065 . . . . 0.0 109.851 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -99.47 140.58 33.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.009 0.924 . . . . 0.0 112.334 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -128.82 150.23 50.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.122 1.769 . . . . 0.0 109.834 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.53 142.8 30.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.657 0.783 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -139.76 110.92 7.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.8 1.24 . . . . 0.0 111.404 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.8 149.84 54.85 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.856 2.371 . . . . 0.0 112.637 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.66 6.94 88.85 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.393 1.473 . . . . 0.0 115.288 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.43 164.28 11.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.608 1.204 . . . . 0.0 113.062 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.56 165.47 27.42 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.522 2.329 . . . . 0.0 110.068 162.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.1 mt -76.53 122.75 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.82 -39.14 3.93 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.133 0.873 . . . . 0.0 114.212 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -146.99 152.57 38.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.454 1.102 . . . . 0.0 112.335 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.15 138.18 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.351 1.46 . . . . 0.0 110.478 161.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -132.02 98.37 4.42 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.41 1.884 . . . . 0.0 108.672 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.411 ' H ' HD22 ' B' ' 53' ' ' LEU . 2.1 mm? -70.23 -27.49 64.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.301 1.44 . . . . 0.0 111.802 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.87 -41.83 86.63 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.711 1.604 . . . . 0.0 111.417 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 38.3 m -89.95 -23.35 21.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.77 1.228 . . . . 0.0 113.992 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.98 42.46 19.9 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.664 1.126 . . . . 0.0 112.963 -172.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.97 143.16 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.159 1.384 . . . . 0.0 112.271 -170.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.9 mt -127.81 136.18 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.001 2.12 . . . . 0.0 109.384 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 14.6 m -118.35 126.86 52.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 174.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.5 mt -94.93 153.74 17.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.827 0.851 . . . . 0.0 111.579 171.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.81 161.46 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 126.55 1.94 . . . . 0.0 111.128 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -75.89 117.33 17.51 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.294 1.038 . . . . 0.0 111.106 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.16 140.98 45.54 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.946 1.298 . . . . 0.0 112.052 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -109.81 11.86 24.19 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.603 1.561 . . . . 0.0 113.223 -175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -72.6 -27.66 62.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.981 1.312 . . . . 0.0 113.481 -177.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.673 1.589 . . . . 0.0 112.546 -176.901 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 CA-C-O 119.873 -0.404 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.51 160.64 48.41 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 124.083 3.189 . . . . 0.0 112.789 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -66.24 153.14 52.08 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.073 0.844 . . . . 0.0 113.552 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.9 t -153.2 165.48 35.54 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.327 1.451 . . . . 0.0 111.549 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -65.05 164.15 13.43 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.466 1.506 . . . . 0.0 113.86 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.8 t -133.0 165.52 24.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.807 2.043 . . . . 0.0 109.658 168.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -144.45 153.08 41.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.367 1.067 . . . . 0.0 111.56 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.57 -174.59 3.28 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.675 1.59 . . . . 0.0 112.007 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -122.23 137.03 54.98 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.84 0.856 . . . . 0.0 111.675 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 t -82.57 144.68 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 110.133 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.87 138.0 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.312 1.445 . . . . 0.0 111.598 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -151.56 163.09 39.81 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.324 1.85 . . . . 0.0 109.963 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.0 m -135.06 134.0 39.91 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 121.353 -0.842 . . . . 0.0 111.755 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -69.08 162.56 26.68 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.171 1.788 . . . . 0.0 112.512 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.5 -27.14 69.06 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.267 1.027 . . . . 0.0 112.672 171.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -75.28 -4.08 37.02 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.0 1.72 . . . . 0.0 113.726 172.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.18 5.5 82.84 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.564 1.554 . . . . 0.0 114.505 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.05 118.67 4.85 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 118.327 1.064 . . . . 0.0 111.984 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 ttp-105 -78.99 143.49 35.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.282 1.041 . . . . 0.0 111.706 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.7 t -132.13 136.79 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.171 1.788 . . . . 0.0 108.839 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -137.37 149.27 46.86 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.568 1.147 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.4 mt -130.76 120.68 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.287 1.435 . . . . 0.0 108.825 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.56 165.9 37.4 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.938 0.78 . . . . 0.0 114.148 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 54.07 39.43 30.61 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.229 1.812 . . . . 0.0 113.687 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.54 127.65 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.084 1.754 . . . . 0.0 111.26 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -93.23 -36.17 12.73 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.255 1.022 . . . . 0.0 112.508 170.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -136.96 144.19 43.25 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.875 0.761 . . . . 0.0 112.889 -170.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.59 129.89 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.202 1.401 . . . . 0.0 108.883 173.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -136.57 119.83 16.75 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.94 0.896 . . . . 0.0 111.457 -169.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.6 135.74 36.12 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.275 0.56 . . . . 0.0 110.353 167.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -133.41 -169.46 2.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.009 1.724 . . . . 0.0 110.811 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.37 73.96 0.3 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.272 1.415 . . . . 0.0 113.794 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 18.3 32.52 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.662 1.601 . . . . 0.0 114.978 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.84 164.28 38.72 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.954 1.377 . . . . 0.0 112.597 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -113.44 136.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.197 0.999 . . . . 0.0 110.684 163.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -107.97 151.79 25.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.564 1.945 . . . . 0.0 110.894 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -140.53 133.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.146 1.778 . . . . 0.0 110.107 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.2 m -124.84 130.72 52.93 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.398 0.999 . . . . 0.0 111.989 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -88.53 167.65 13.24 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.134 1.374 . . . . 0.0 113.702 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tt -55.5 -28.75 56.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 113.411 169.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -85.89 7.15 25.23 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.903 1.681 . . . . 0.0 113.335 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 61.92 18.22 9.64 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.334 1.854 . . . . 0.0 114.697 -174.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.13 152.13 32.97 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.159 -0.963 . . . . 0.0 110.988 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -128.13 140.05 52.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.235 1.014 . . . . 0.0 112.369 -175.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -127.06 151.46 48.58 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.912 1.685 . . . . 0.0 109.487 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.07 143.76 30.6 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.768 0.827 . . . . 0.0 112.493 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.73 111.55 8.89 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.474 1.51 . . . . 0.0 111.084 -171.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.36 147.9 53.76 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.04 2.8 83.62 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.535 1.54 . . . . 0.0 115.611 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.3 mt -94.74 166.1 12.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.254 1.527 . . . . 0.0 112.945 174.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.26 162.22 35.52 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.784 2.434 . . . . 0.0 110.588 165.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -75.5 121.33 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.29 -43.43 3.23 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.409 1.004 . . . . 0.0 114.052 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -151.41 147.07 26.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.548 1.139 . . . . 0.0 112.38 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.3 t -126.77 130.41 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.818 2.047 . . . . 0.0 108.599 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -134.81 103.18 5.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.936 1.295 . . . . 0.0 110.123 -174.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.81 -27.1 44.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.421 1.488 . . . . 0.0 112.239 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -67.0 -49.19 66.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.868 0.867 . . . . 0.0 110.929 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -85.76 -23.08 27.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.51 1.124 . . . . 0.0 113.772 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.84 45.86 11.82 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.73 1.157 . . . . 0.0 113.304 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -133.87 142.79 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.595 1.158 . . . . 0.0 111.445 -173.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.8 mt -126.66 124.92 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.63 1.572 . . . . 0.0 109.176 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 t -109.41 128.58 55.24 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.021 1.328 . . . . 0.0 111.574 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -101.46 150.08 23.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.363 1.065 . . . . 0.0 111.984 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.59 161.58 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.979 1.712 . . . . 0.0 110.909 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -72.0 118.98 15.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.521 1.128 . . . . 0.0 111.535 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -63.49 123.59 19.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.182 1.393 . . . . 0.0 111.804 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -90.64 4.56 51.04 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -72.28 -22.58 61.19 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.726 1.21 . . . . 0.0 114.222 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.206 1.402 . . . . 0.0 112.839 -178.213 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 CA-C-O 119.814 -0.437 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -64.36 -30.49 63.05 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.342 2.695 . . . . 0.0 114.836 -174.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.74 -1.69 44.44 Favored Glycine 0 CA--C 1.543 1.822 0 C-N-CA 125.005 1.288 . . . . 0.0 115.726 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 33.0 t -156.47 150.93 25.57 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.467 1.907 . . . . 0.0 110.525 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -152.25 163.66 38.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.207 1.403 . . . . 0.0 112.162 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 79.0 m -129.52 170.6 13.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.149 1.78 . . . . 0.0 111.159 173.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -146.21 151.63 37.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.587 1.155 . . . . 0.0 110.561 163.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.7 177.42 5.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.199 1.399 . . . . 0.0 112.649 -171.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 132.71 56.49 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.414 1.085 . . . . 0.0 111.46 167.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.88 144.93 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.929 1.691 . . . . 0.0 110.342 173.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.48 140.54 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.161 1.384 . . . . 0.0 112.182 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -150.03 165.16 33.56 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.994 2.118 . . . . 0.0 110.639 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -134.67 134.77 41.5 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.515 0.726 . . . . 0.0 111.406 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -66.4 163.54 18.09 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.9 1.68 . . . . 0.0 112.401 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.8 68.93 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.129 0.972 . . . . 0.0 112.939 170.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -76.23 -4.26 40.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.072 1.749 . . . . 0.0 114.206 172.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.71 6.54 82.82 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.259 1.409 . . . . 0.0 114.613 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.63 119.59 5.15 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-N 118.347 1.073 . . . . 0.0 111.962 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttp-105 -79.59 143.25 34.93 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.415 1.107 . . . . 0.0 111.617 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t -132.72 139.68 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 126.352 1.861 . . . . 0.0 109.735 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -136.82 149.05 47.51 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.861 1.264 . . . . 0.0 112.213 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.3 mt -132.33 121.23 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.659 1.583 . . . . 0.0 108.727 175.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.22 170.13 33.98 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.23 0.919 . . . . 0.0 114.236 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 57.44 33.63 23.54 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.99 1.716 . . . . 0.0 114.634 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.84 129.14 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.287 1.835 . . . . 0.0 111.469 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -92.06 -29.94 16.29 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.603 1.161 . . . . 0.0 113.511 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.91 155.47 34.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.19 131.9 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.908 1.683 . . . . 0.0 109.409 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -119.79 143.12 48.01 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.749 1.62 . . . . 0.0 110.447 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.6 136.27 53.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.795 1.238 . . . . 0.0 112.21 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -102.96 179.72 4.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.368 1.867 . . . . 0.0 110.407 168.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.6 -13.54 45.87 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.856 -1.153 . . . . 0.0 115.42 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.06 32.77 0.29 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.952 1.263 . . . . 0.0 114.402 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.48 166.19 25.22 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.519 1.528 . . . . 0.0 112.11 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -129.51 160.48 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 164.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -132.66 140.21 48.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.888 2.075 . . . . 0.0 110.283 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -131.47 131.95 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.961 2.104 . . . . 0.0 110.058 -171.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -132.94 134.7 44.88 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.142 0.977 . . . . 0.0 112.589 -175.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 p -103.28 167.78 9.6 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.742 1.617 . . . . 0.0 112.929 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.74 -9.61 51.69 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -82.68 4.37 25.23 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.105 1.362 . . . . 0.0 113.587 171.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 62.46 15.61 7.95 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.778 2.031 . . . . 0.0 114.29 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.41 148.5 35.45 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.925 -1.109 . . . . 0.0 111.366 168.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -137.26 141.47 41.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.615 1.166 . . . . 0.0 112.012 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.0 148.65 50.1 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.568 1.947 . . . . 0.0 110.031 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.53 144.27 34.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.884 0.874 . . . . 0.0 112.319 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -140.14 104.24 6.69 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 124.898 1.279 . . . . 0.0 111.131 -171.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.45 143.41 47.43 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.457 2.105 . . . . 0.0 111.792 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.13 4.65 88.16 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.586 1.565 . . . . 0.0 114.62 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.56 161.75 13.62 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.658 1.229 . . . . 0.0 112.109 172.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.28 161.62 35.27 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.911 2.085 . . . . 0.0 110.258 164.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.39 115.55 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.39 -68.63 1.31 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.981 0.8 . . . . 0.0 112.516 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -140.95 141.84 34.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 111.878 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.54 132.86 69.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 127.256 2.223 . . . . 0.0 109.028 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.54 90.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.861 1.265 . . . . 0.0 108.827 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.53 -13.24 60.35 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.282 1.033 . . . . 0.0 113.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -71.4 -40.19 70.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.123 0.969 . . . . 0.0 110.852 172.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -83.05 -28.87 29.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.189 1.396 . . . . 0.0 113.69 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.93 30.31 23.67 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 126.006 1.765 . . . . 0.0 113.976 -174.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -118.08 142.6 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.836 1.654 . . . . 0.0 112.405 -169.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.8 mt -123.3 112.17 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.565 1.546 . . . . 0.0 109.038 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -96.24 121.61 38.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.22 1.408 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.33 151.71 21.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.22 159.02 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.716 1.606 . . . . 0.0 111.409 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.59 117.09 16.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.042 0.937 . . . . 0.0 111.469 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -77.91 139.35 39.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.188 0.995 . . . . 0.0 111.777 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -97.9 5.99 48.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.244 1.418 . . . . 0.0 114.065 -170.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -75.56 -24.8 56.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.322 1.449 . . . . 0.0 114.033 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.069 1.347 . . . . 0.0 112.165 175.655 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.198 -0.361 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.19 156.43 65.77 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.057 3.171 . . . . 0.0 112.68 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.98 148.64 44.89 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 123.872 0.748 . . . . 0.0 113.92 177.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.4 m -70.17 152.35 44.37 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.65 1.18 . . . . 0.0 113.122 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptm -156.14 166.67 32.77 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.981 1.712 . . . . 0.0 111.266 173.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.6 m -128.06 160.64 31.32 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.9 1.28 . . . . 0.0 111.621 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -150.76 160.09 44.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.272 1.429 . . . . 0.0 110.656 168.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.03 -179.43 5.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.866 1.266 . . . . 0.0 112.643 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -104.32 145.03 30.83 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 157.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -88.07 143.28 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.94 0.896 . . . . 0.0 109.484 163.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.01 138.95 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.492 1.517 . . . . 0.0 110.554 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -147.78 159.98 43.23 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.052 1.741 . . . . 0.0 110.703 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 m -131.28 129.69 41.84 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.507 0.723 . . . . 0.0 111.021 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -71.77 165.3 24.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.993 1.717 . . . . 0.0 112.887 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.03 -25.38 66.87 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.305 1.042 . . . . 0.0 112.782 167.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -68.7 -10.93 59.27 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.772 1.629 . . . . 0.0 113.575 172.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.24 7.46 88.45 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.897 1.237 . . . . 0.0 113.715 -168.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.44 123.77 6.29 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 118.501 1.151 . . . . 0.0 111.992 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -81.39 143.15 32.36 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.115 0.957 . . . . 0.0 111.338 175.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.5 t -134.52 139.49 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.447 1.899 . . . . 0.0 109.692 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -134.87 147.45 49.87 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.829 1.252 . . . . 0.0 112.107 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.22 120.72 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.591 1.556 . . . . 0.0 108.83 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.88 167.33 36.41 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.777 1.18 . . . . 0.0 115.095 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 54.27 34.99 21.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.385 1.874 . . . . 0.0 114.527 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.65 126.08 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.299 1.439 . . . . 0.0 111.254 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.6 mt -87.9 -37.01 16.83 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.121 0.969 . . . . 0.0 112.367 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.44 151.75 34.53 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -168.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.59 137.23 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.927 1.691 . . . . 0.0 109.392 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -130.6 124.57 32.04 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.239 1.815 . . . . 0.0 110.385 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.82 48.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.602 1.161 . . . . 0.0 111.581 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -86.59 -174.4 4.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.79 1.636 . . . . 0.0 111.001 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -14.96 53.17 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.864 -1.147 . . . . 0.0 114.988 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.21 37.51 0.17 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.566 1.079 . . . . 0.0 114.031 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.33 162.72 33.55 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.056 1.742 . . . . 0.0 110.895 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.88 140.89 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 111.711 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -119.19 145.51 45.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.238 2.215 . . . . 0.0 110.594 173.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.4 t -140.16 131.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.783 1.633 . . . . 0.0 109.649 -169.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.8 m -131.44 134.12 45.88 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.089 1.313 . . . . 0.0 113.483 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 p -85.49 172.09 11.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.692 1.597 . . . . 0.0 114.707 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -51.96 -26.08 9.69 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.647 2.379 . . . . 0.0 113.755 168.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.55 18.0 22.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 113.158 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 62.04 16.75 8.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.276 2.231 . . . . 0.0 114.935 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -78.7 117.44 19.84 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.146 -0.971 . . . . 0.0 110.359 174.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -95.1 142.15 27.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.894 0.878 . . . . 0.0 112.368 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -124.63 151.47 44.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.246 2.219 . . . . 0.0 109.493 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.55 139.75 31.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.998 0.919 . . . . 0.0 112.679 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -142.59 111.15 5.8 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.38 1.472 . . . . 0.0 111.623 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.68 150.95 51.47 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.846 2.364 . . . . 0.0 111.802 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 12.73 82.47 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.42 1.01 . . . . 0.0 114.989 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 mt -108.92 163.95 12.84 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.75 1.275 . . . . 0.0 113.121 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.36 163.67 33.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.021 2.128 . . . . 0.0 110.363 163.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -76.3 121.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.768 0.827 . . . . 0.0 109.586 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.8 -44.5 2.87 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.089 1.328 . . . . 0.0 114.174 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -150.06 145.15 26.21 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.399 1.08 . . . . 0.0 110.794 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.49 130.12 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.413 1.885 . . . . 0.0 108.44 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -138.33 99.65 3.91 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.692 0.797 . . . . 0.0 110.821 -165.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.56 -31.68 60.13 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.916 1.286 . . . . 0.0 111.526 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -65.09 -40.59 94.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.878 1.671 . . . . 0.0 112.502 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -97.94 -21.02 17.09 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.39 52.1 5.75 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.77 1.176 . . . . 0.0 113.572 -176.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.9 t -141.21 144.63 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.233 1.413 . . . . 0.0 111.949 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.02 127.69 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.594 1.157 . . . . 0.0 109.643 161.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.1 t -106.12 126.5 52.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.762 1.225 . . . . 0.0 110.7 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -101.6 150.51 23.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.362 1.465 . . . . 0.0 111.928 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.25 159.36 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.729 1.612 . . . . 0.0 111.181 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -75.33 114.82 14.29 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.74 1.216 . . . . 0.0 111.556 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.39 140.18 31.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.91 0.884 . . . . 0.0 112.173 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -101.5 9.44 41.34 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.019 1.328 . . . . 0.0 113.518 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -74.74 -18.47 60.49 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.57 1.548 . . . . 0.0 113.588 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.42 1.488 . . . . 0.0 112.345 -178.516 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 118.7 -1.055 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.92 157.99 31.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.064 3.176 . . . . 0.0 114.418 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 179.69 -170.25 41.53 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.112 1.339 . . . . 0.0 113.811 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 6.7 t 61.04 -174.82 0.12 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.119 1.768 . . . . 0.0 114.219 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 mtm 57.74 -174.56 0.08 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.389 2.276 . . . . 0.0 114.29 -171.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -122.36 153.99 38.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.794 1.238 . . . . 0.0 110.69 166.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.4 ptm -151.21 155.38 38.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.45 1.9 . . . . 0.0 110.101 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.65 -176.95 4.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.657 1.183 . . . . 0.0 112.496 -170.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -122.06 149.6 43.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.141 0.976 . . . . 0.0 112.86 165.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.6 t -95.39 144.65 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 110.559 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.12 137.5 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.121 1.368 . . . . 0.0 111.314 170.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -148.29 161.55 41.29 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.338 1.855 . . . . 0.0 110.876 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 m -133.17 129.03 37.27 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.986 0.914 . . . . 0.0 110.486 173.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -68.15 165.14 18.85 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.777 1.631 . . . . 0.0 113.69 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.43 -26.96 67.12 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.496 1.118 . . . . 0.0 113.002 163.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -68.79 -11.62 60.58 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.073 1.749 . . . . 0.0 113.701 171.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.78 5.98 88.89 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.224 1.392 . . . . 0.0 113.95 -170.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.51 118.22 4.58 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 118.72 1.26 . . . . 0.0 112.113 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -77.27 136.91 38.54 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.073 0.949 . . . . 0.0 111.034 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.0 t -136.18 137.99 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.062 1.745 . . . . 0.0 109.852 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.69 148.01 50.23 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.426 1.09 . . . . 0.0 111.758 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.6 mt -130.18 118.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.918 1.287 . . . . 0.0 108.969 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.23 169.69 40.13 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.245 0.926 . . . . 0.0 114.209 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 57.0 34.81 25.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.757 1.623 . . . . 0.0 114.575 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.07 131.21 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.36 1.464 . . . . 0.0 111.082 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -98.94 -28.68 13.32 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.232 1.413 . . . . 0.0 113.418 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -158.92 159.33 34.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.5 t -133.66 137.32 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 127.313 2.245 . . . . 0.0 109.52 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -129.28 131.74 47.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.808 1.643 . . . . 0.0 111.135 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.65 129.36 41.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.074 0.95 . . . . 0.0 110.685 168.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -110.7 170.62 7.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.73 . . . . 0.0 110.527 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.07 33.46 0.52 Allowed Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.387 1.47 . . . . 0.0 115.538 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.06 -1.3 0.03 OUTLIER Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.857 1.694 . . . . 0.0 115.686 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.54 163.83 29.94 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.393 1.596 . . . . 0.0 112.18 -175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -106.42 144.54 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.246 1.018 . . . . 0.0 110.881 158.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -125.52 145.98 49.86 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.978 2.111 . . . . 0.0 110.467 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.22 134.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.479 1.512 . . . . 0.0 110.433 -169.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.8 m -122.06 129.81 52.73 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.124 0.969 . . . . 0.0 112.324 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.4 p -91.55 166.39 12.86 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.01 1.324 . . . . 0.0 113.394 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.6 tp -55.96 -25.68 44.83 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.953 2.101 . . . . 0.0 113.953 169.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -101.86 19.99 17.25 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.564 1.546 . . . . 0.0 113.648 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t0 60.46 25.62 15.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.027 2.131 . . . . 0.0 114.662 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.26 143.03 31.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.083 -1.01 . . . . 0.0 110.279 165.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -114.1 137.01 52.3 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.374 1.07 . . . . 0.0 111.565 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -118.82 150.78 39.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.801 1.64 . . . . 0.0 110.16 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.25 141.2 28.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.732 0.813 . . . . 0.0 112.737 -176.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -140.46 96.45 7.78 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 125.525 1.53 . . . . 0.0 111.629 -170.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.82 144.14 99.5 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.447 2.764 . . . . 0.0 113.144 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 5.59 85.47 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.04 1.305 . . . . 0.0 115.465 175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.32 161.28 13.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.685 1.242 . . . . 0.0 112.742 170.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.83 158.06 45.13 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.386 2.275 . . . . 0.0 109.878 168.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.48 122.09 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.438 -0.788 . . . . 0.0 109.545 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.13 -42.67 2.36 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.541 1.067 . . . . 0.0 114.327 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -146.92 146.56 30.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.589 1.156 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.31 137.48 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.403 1.881 . . . . 0.0 109.013 171.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -145.91 96.79 2.86 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.221 1.008 . . . . 0.0 109.973 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.9 mt -79.72 -19.32 49.13 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.086 1.355 . . . . 0.0 112.694 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -69.81 -43.99 70.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.955 1.702 . . . . 0.0 110.302 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -78.52 -32.44 48.04 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.184 1.394 . . . . 0.0 112.999 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.15 36.66 17.36 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.073 1.321 . . . . 0.0 113.637 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.52 142.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.204 1.402 . . . . 0.0 112.673 -170.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.19 126.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.854 1.662 . . . . 0.0 109.509 168.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.9 m -107.66 132.81 52.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.748 1.219 . . . . 0.0 111.712 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.6 mt -101.86 154.82 18.58 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.347 1.059 . . . . 0.0 112.365 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.58 162.63 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.598 1.959 . . . . 0.0 111.5 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -72.21 121.45 19.37 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.165 -0.96 . . . . 0.0 111.662 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -62.13 126.74 28.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.244 1.417 . . . . 0.0 112.987 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -95.68 -0.74 51.27 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.689 1.196 . . . . 0.0 114.212 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.89 -30.39 61.28 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.46 1.504 . . . . 0.0 113.497 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.991 1.716 . . . . 0.0 112.681 -178.468 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.377 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -60.21 155.69 44.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.123 3.215 . . . . 0.0 114.632 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.99 -177.41 47.65 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.824 1.202 . . . . 0.0 112.877 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 61.1 p -67.4 143.48 56.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.124 0.97 . . . . 0.0 112.42 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mmm -131.4 155.98 46.36 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.779 1.632 . . . . 0.0 112.469 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.1 m -130.46 156.06 45.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.81 1.644 . . . . 0.0 110.299 165.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.9 ptp -153.13 171.8 17.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.653 1.581 . . . . 0.0 110.979 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.53 177.68 7.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.83 1.252 . . . . 0.0 111.794 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -112.33 140.59 46.92 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.604 0.761 . . . . 0.0 110.607 157.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.9 t -88.18 142.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.622 1.169 . . . . 0.0 109.952 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.2 137.58 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.991 1.317 . . . . 0.0 110.819 166.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.64 165.48 35.1 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.927 1.691 . . . . 0.0 111.948 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -134.55 132.31 38.97 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.918 0.887 . . . . 0.0 111.366 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -68.08 163.24 22.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.432 1.493 . . . . 0.0 112.269 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.12 -25.9 68.3 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.79 0.836 . . . . 0.0 113.088 169.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -75.32 -6.77 51.61 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.263 1.425 . . . . 0.0 113.312 171.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 6.69 74.51 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.528 1.537 . . . . 0.0 114.813 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.12 120.63 5.33 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 118.808 1.304 . . . . 0.0 112.184 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -85.42 141.31 30.06 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.466 1.133 . . . . 0.0 112.162 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.7 t -136.82 140.1 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.14 1.776 . . . . 0.0 109.897 -171.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -124.72 151.06 45.52 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.517 0.727 . . . . 0.0 112.557 168.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.1 mt -132.08 115.22 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.329 1.451 . . . . 0.0 107.966 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.22 168.54 42.73 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.488 1.042 . . . . 0.0 113.81 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 57.56 30.7 19.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.133 1.373 . . . . 0.0 114.69 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -72.62 129.13 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.503 1.121 . . . . 0.0 111.185 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.2 mt -99.61 -27.92 13.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.168 0.987 . . . . 0.0 113.137 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -156.81 158.45 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.368 0.986 . . . . 0.0 113.133 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.87 140.5 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 127.078 2.151 . . . . 0.0 110.162 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -128.92 132.5 47.67 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.019 2.127 . . . . 0.0 111.456 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.16 123.76 29.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.124 0.57 . . . . 0.0 110.486 163.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -94.81 174.2 7.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.931 1.693 . . . . 0.0 111.057 170.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.64 84.56 0.2 Allowed Glycine 0 CA--C 1.533 1.189 0 O-C-N 121.101 -1.0 . . . . 0.0 111.789 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.54 14.9 39.35 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.059 1.314 . . . . 0.0 116.199 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.55 170.29 22.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.008 1.404 . . . . 0.0 112.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.7 t -122.62 143.2 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.448 1.099 . . . . 0.0 110.921 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -121.51 146.16 47.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.645 1.978 . . . . 0.0 110.948 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.8 t -141.02 138.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 126.029 1.732 . . . . 0.0 109.566 -168.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 m -131.16 135.32 47.33 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 119.81 1.186 . . . . 0.0 113.155 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.6 p -85.77 170.6 12.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.367 1.467 . . . . 0.0 113.879 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -52.22 -28.26 17.84 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.134 2.173 . . . . 0.0 113.33 168.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -98.04 17.99 17.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.298 1.439 . . . . 0.0 113.239 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t0 60.81 22.88 12.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.973 2.109 . . . . 0.0 114.303 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -85.66 118.04 24.93 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.945 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.51 141.27 29.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.284 0.633 . . . . 0.0 112.166 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -125.85 150.17 48.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.976 2.111 . . . . 0.0 109.698 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.66 139.57 29.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.886 0.874 . . . . 0.0 112.535 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -142.63 105.59 5.41 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.904 1.281 . . . . 0.0 111.895 -168.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -63.55 150.84 87.49 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 123.027 2.485 . . . . 0.0 113.581 175.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.62 5.84 86.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.699 1.143 . . . . 0.0 115.764 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.7 mt -97.29 163.53 12.86 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.538 1.169 . . . . 0.0 113.168 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.27 156.94 45.82 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.297 2.239 . . . . 0.0 110.259 167.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.66 113.31 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.08 -43.16 3.34 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.743 1.163 . . . . 0.0 114.648 -171.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -149.88 146.22 26.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.444 1.098 . . . . 0.0 111.539 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -128.61 134.78 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.987 2.115 . . . . 0.0 108.916 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -142.24 106.33 4.75 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.172 1.389 . . . . 0.0 110.203 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.19 -26.59 33.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.968 1.307 . . . . 0.0 112.699 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -70.96 -42.13 70.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.606 1.162 . . . . 0.0 111.431 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -31.71 42.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.48 1.112 . . . . 0.0 112.871 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.55 44.96 8.96 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.751 1.167 . . . . 0.0 112.487 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.3 t -135.28 141.57 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.263 1.425 . . . . 0.0 112.078 -173.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.2 mt -123.83 125.26 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.295 1.838 . . . . 0.0 108.744 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -105.81 123.42 47.93 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.259 1.024 . . . . 0.0 110.988 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.12 143.08 28.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.515 1.126 . . . . 0.0 110.984 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.35 159.98 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.691 1.596 . . . . 0.0 111.103 -174.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -70.43 116.9 11.29 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.595 1.158 . . . . 0.0 111.257 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.4 131.23 47.56 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.264 1.026 . . . . 0.0 111.124 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -84.6 0.1 51.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -174.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -78.6 -20.09 51.23 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.336 1.855 . . . . 0.0 113.353 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.291 1.837 . . . . 0.0 113.232 -173.402 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 CA-C-O 119.725 -0.486 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.88 156.97 30.52 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.417 3.411 . . . . 0.0 114.594 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -170.99 -125.63 0.82 Allowed Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.495 1.522 . . . . 0.0 110.987 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 40.6 m -64.58 -30.09 71.11 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.401 0.68 . . . . 0.0 112.273 170.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mtp -95.6 155.04 16.91 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.469 1.508 . . . . 0.0 112.324 165.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 6.0 m -130.73 157.36 43.02 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.321 1.848 . . . . 0.0 109.848 162.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mtp -137.99 161.71 36.0 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.023 1.729 . . . . 0.0 110.763 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.21 177.09 7.94 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.569 1.147 . . . . 0.0 111.882 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -124.72 140.42 52.95 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 111.482 165.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -94.4 142.39 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.308 1.443 . . . . 0.0 110.44 176.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.73 142.06 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.659 1.184 . . . . 0.0 112.242 172.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -150.93 160.98 43.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.388 1.875 . . . . 0.0 111.18 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 60.2 m -136.0 129.73 32.5 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.65 1.18 . . . . 0.0 110.598 170.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.11 163.74 24.1 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.489 1.516 . . . . 0.0 112.49 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.46 -26.31 67.81 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 170.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -76.93 -4.26 42.98 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.221 1.809 . . . . 0.0 113.736 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.21 6.17 81.88 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.335 1.445 . . . . 0.0 114.477 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.23 109.64 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 118.839 1.32 . . . . 0.0 112.101 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -79.9 140.29 36.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.385 1.093 . . . . 0.0 111.704 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.78 138.21 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.074 1.75 . . . . 0.0 109.896 177.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -140.18 132.53 28.38 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.788 1.635 . . . . 0.0 111.014 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -129.64 118.76 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.388 1.475 . . . . 0.0 109.549 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.75 174.1 35.76 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.732 1.158 . . . . 0.0 114.54 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 55.98 33.39 21.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.985 1.714 . . . . 0.0 114.733 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -75.6 131.16 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.838 1.655 . . . . 0.0 110.59 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 mt -98.18 -30.52 12.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.288 1.035 . . . . 0.0 112.987 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -153.62 154.28 33.91 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.55 132.21 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.747 1.619 . . . . 0.0 109.129 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -117.0 142.28 47.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.08 1.752 . . . . 0.0 110.776 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.6 115.43 30.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.15 0.98 . . . . 0.0 109.435 160.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -85.75 -175.08 5.46 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.572 1.949 . . . . 0.0 111.644 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.97 -9.62 47.76 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.801 1.191 . . . . 0.0 115.995 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.34 14.07 0.15 Allowed Glycine 0 N--CA 1.48 1.571 0 CA-C-N 119.229 1.514 . . . . 0.0 115.599 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.01 169.89 23.3 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.483 1.513 . . . . 0.0 111.777 -174.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -112.01 155.51 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 121.27 0.557 . . . . 0.0 111.659 157.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -129.8 137.2 50.37 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.519 1.927 . . . . 0.0 110.245 175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.52 127.69 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 109.484 -173.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.7 m -125.91 128.03 46.93 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.116 0.871 . . . . 0.0 112.161 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -95.02 165.53 12.39 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.669 1.588 . . . . 0.0 112.748 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.79 -12.64 50.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -81.32 3.21 24.99 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.269 1.428 . . . . 0.0 113.424 173.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 60.31 14.59 4.76 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.179 2.191 . . . . 0.0 114.016 -169.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -79.77 140.73 36.8 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.445 1.098 . . . . 0.0 111.14 169.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -120.68 141.75 50.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.24 1.416 . . . . 0.0 111.654 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -121.39 150.34 41.63 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.611 1.964 . . . . 0.0 110.062 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.35 142.86 31.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.457 0.703 . . . . 0.0 112.484 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -141.23 107.66 6.19 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 -172.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.92 147.27 49.25 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.954 2.436 . . . . 0.0 111.971 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.93 6.11 72.12 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.814 1.197 . . . . 0.0 115.774 174.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 41.2 mt -95.7 165.61 12.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.509 1.155 . . . . 0.0 112.028 169.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.85 159.99 41.11 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.381 2.272 . . . . 0.0 110.673 171.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -76.72 118.28 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.06 -37.7 4.04 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.394 0.997 . . . . 0.0 114.533 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.1 144.24 25.61 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.378 1.089 . . . . 0.0 111.365 -178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.91 131.69 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.741 1.616 . . . . 0.0 108.824 173.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -143.43 103.65 4.13 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.087 0.955 . . . . 0.0 110.436 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.6 -15.33 59.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.326 1.05 . . . . 0.0 112.695 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -70.19 -45.81 65.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.712 1.205 . . . . 0.0 110.36 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -81.56 -25.94 35.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.313 1.445 . . . . 0.0 113.056 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.2 41.5 38.64 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.803 1.192 . . . . 0.0 112.069 -171.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.76 139.08 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.522 1.129 . . . . 0.0 112.044 -171.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -121.31 120.27 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.051 1.74 . . . . 0.0 108.263 170.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -102.86 127.37 50.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.62 148.7 23.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.973 1.309 . . . . 0.0 112.09 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.46 159.86 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.141 1.776 . . . . 0.0 110.674 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -74.31 121.29 21.11 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.23 1.012 . . . . 0.0 110.817 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -63.78 124.35 21.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.13 0.972 . . . . 0.0 112.414 -174.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -85.51 4.54 35.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.679 1.192 . . . . 0.0 113.924 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -72.73 -24.2 60.94 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.19 1.396 . . . . 0.0 113.87 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.879 1.672 . . . . 0.0 113.226 -170.077 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 CA-C-O 119.932 -0.371 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -72.36 -20.14 24.55 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.235 3.29 . . . . 0.0 114.468 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 63.63 -142.44 46.81 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.329 0.966 . . . . 0.0 112.921 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 17.4 m -71.44 -13.05 61.71 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp -69.64 144.12 53.03 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.7 t -141.65 -179.98 6.49 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 128.055 2.542 . . . . 0.0 109.342 165.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.81 155.55 40.29 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.322 1.449 . . . . 0.0 110.901 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.21 178.82 7.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.121 . . . . 0.0 112.785 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -123.18 138.09 54.73 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 111.958 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.49 144.46 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.866 1.666 . . . . 0.0 110.608 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.39 140.9 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.651 1.58 . . . . 0.0 111.621 168.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.0 162.62 40.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.375 1.87 . . . . 0.0 111.267 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 m -137.84 130.66 29.93 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.109 0.963 . . . . 0.0 110.518 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.25 162.69 24.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.895 1.678 . . . . 0.0 112.688 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.89 -25.82 67.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.577 0.751 . . . . 0.0 112.716 170.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -77.51 -2.34 35.03 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.867 1.667 . . . . 0.0 114.126 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.54 7.62 81.8 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.331 1.443 . . . . 0.0 114.411 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.83 107.71 2.42 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-N 118.512 1.156 . . . . 0.0 111.913 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -78.45 138.23 38.36 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.487 1.115 . . . . 0.0 111.626 174.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -139.32 143.83 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.125 1.77 . . . . 0.0 110.358 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -134.37 151.07 51.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.274 1.43 . . . . 0.0 112.339 172.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.0 mt -130.92 121.44 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.89 1.676 . . . . 0.0 108.201 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.63 171.09 32.95 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.314 0.959 . . . . 0.0 114.019 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.42 35.48 25.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.804 1.642 . . . . 0.0 114.236 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.42 130.88 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.459 1.504 . . . . 0.0 111.56 -174.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -88.83 -39.74 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.978 1.311 . . . . 0.0 112.201 169.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -157.44 161.32 38.93 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -133.72 139.13 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 127.302 2.241 . . . . 0.0 109.091 175.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -127.5 147.4 50.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.759 1.624 . . . . 0.0 111.212 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.45 117.24 28.93 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.135 1.374 . . . . 0.0 110.641 169.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -89.25 -175.0 4.62 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.153 1.781 . . . . 0.0 110.944 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.49 -9.58 44.56 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.83 12.44 0.18 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.63 161.97 37.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 0.0 111.97 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.17 158.69 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.244 0.618 . . . . 0.0 112.315 163.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -133.8 139.88 46.57 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.463 1.905 . . . . 0.0 110.174 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -125.98 134.6 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.909 2.083 . . . . 0.0 110.149 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.2 m -128.28 130.78 48.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.832 1.253 . . . . 0.0 112.418 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 p -98.03 166.4 11.45 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.61 -28.86 61.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.0 2.12 . . . . 0.0 113.283 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -100.82 18.26 19.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.466 1.506 . . . . 0.0 113.085 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t0 60.44 30.37 19.73 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.581 1.952 . . . . 0.0 114.506 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -77.66 147.37 35.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.882 160.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -130.87 138.43 49.82 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.401 1.08 . . . . 0.0 111.035 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -130.47 145.61 51.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.829 1.652 . . . . 0.0 109.497 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 142.82 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.821 0.849 . . . . 0.0 112.225 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.91 110.41 6.6 Favored Pre-proline 0 N--CA 1.471 0.62 0 C-N-CA 124.149 0.98 . . . . 0.0 110.884 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.05 146.76 53.03 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.82 2.346 . . . . 0.0 111.75 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.39 14.41 82.2 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.77 164.04 12.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.775 1.23 . . . . 0.0 112.297 171.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 162.75 34.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.343 2.257 . . . . 0.0 110.248 166.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.18 124.56 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.541 -0.725 . . . . 0.0 109.612 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.47 -48.41 1.84 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.377 0.989 . . . . 0.0 114.186 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -150.95 150.55 30.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.177 0.991 . . . . 0.0 112.512 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.07 135.27 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.107 1.363 . . . . 0.0 111.143 162.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -113.42 109.91 19.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 108.876 167.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.36 -40.88 73.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 0.0 111.318 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -65.03 -37.86 89.0 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.381 1.072 . . . . 0.0 112.479 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -85.34 -22.15 28.61 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.643 1.177 . . . . 0.0 113.613 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.75 41.87 55.26 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.306 0.955 . . . . 0.0 113.352 -177.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.21 136.76 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.011 1.324 . . . . 0.0 111.754 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -121.83 138.76 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.67 1.988 . . . . 0.0 109.33 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -124.64 137.32 54.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.414 1.086 . . . . 0.0 111.914 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.99 148.92 30.0 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.593 1.557 . . . . 0.0 111.918 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.73 159.65 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.929 1.692 . . . . 0.0 111.227 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.33 119.77 20.66 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.531 -0.731 . . . . 0.0 111.936 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -69.41 135.99 51.02 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.337 1.055 . . . . 0.0 111.028 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -149.71 25.09 0.86 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -170.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -75.82 -36.28 59.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.708 0.803 . . . . 0.0 111.313 168.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 . . . . . 0 C--O 1.255 1.38 0 C-N-CA 125.353 1.461 . . . . 0.0 112.514 175.057 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.486 0 CA-C-O 119.168 -0.795 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -57.31 160.58 13.18 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 124.16 3.24 . . . . 0.0 114.631 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.86 -170.51 26.04 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.761 1.172 . . . . 0.0 114.646 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m -65.97 -12.08 52.33 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.328 1.451 . . . . 0.0 114.86 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ptm -148.97 167.05 26.82 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.256 1.822 . . . . 0.0 111.109 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.94 154.94 47.6 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.475 1.51 . . . . 0.0 110.589 168.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -149.06 160.54 43.23 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.266 1.426 . . . . 0.0 110.55 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.89 -176.6 4.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 112.167 -170.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -117.61 144.61 45.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.908 0.883 . . . . 0.0 113.155 165.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -90.21 147.65 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.213 1.405 . . . . 0.0 110.506 167.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.85 133.97 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.799 1.239 . . . . 0.0 110.373 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -146.42 156.47 43.32 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.408 1.483 . . . . 0.0 111.404 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.9 m -133.44 132.11 40.72 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.706 0.803 . . . . 0.0 110.779 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.2 164.58 22.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.802 1.641 . . . . 0.0 112.039 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -27.74 69.48 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.251 1.021 . . . . 0.0 112.453 171.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -76.72 -4.62 44.24 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.844 1.658 . . . . 0.0 113.894 173.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.19 5.35 80.16 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.135 1.35 . . . . 0.0 114.971 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.53 119.9 5.41 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 118.026 0.913 . . . . 0.0 111.967 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -95.09 141.29 28.9 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.791 1.237 . . . . 0.0 112.491 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t -136.6 144.73 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.517 1.927 . . . . 0.0 109.909 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.25 147.38 50.66 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.028 1.331 . . . . 0.0 111.56 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 58.2 mt -132.82 122.06 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.164 1.385 . . . . 0.0 108.907 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.41 171.31 36.5 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.466 1.031 . . . . 0.0 114.999 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.0 33.9 22.69 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.245 1.818 . . . . 0.0 114.734 173.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.97 130.89 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.269 1.828 . . . . 0.0 111.851 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 43.3 mt -102.5 -22.98 13.95 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.976 1.31 . . . . 0.0 114.218 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.63 150.52 32.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 172.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.88 133.03 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.862 1.665 . . . . 0.0 108.95 170.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -141.28 131.77 25.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.155 0.982 . . . . 0.0 112.436 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.28 118.51 25.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.399 1.08 . . . . 0.0 110.412 168.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -82.12 -173.85 4.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.579 1.552 . . . . 0.0 111.239 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.04 -11.0 43.07 Favored Glycine 0 CA--C 1.54 1.64 0 O-C-N 120.873 -1.142 . . . . 0.0 115.772 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.56 22.95 0.14 Allowed Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.923 1.361 . . . . 0.0 115.368 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.38 162.57 37.64 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.263 1.425 . . . . 0.0 111.818 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.81 136.77 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.744 0.818 . . . . 0.0 110.673 164.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -116.08 147.96 40.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.595 1.958 . . . . 0.0 110.971 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -141.52 135.07 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.376 1.871 . . . . 0.0 109.557 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -133.47 133.57 42.43 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.863 0.756 . . . . 0.0 112.374 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -88.24 171.87 9.87 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.12 -26.89 18.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.466 2.306 . . . . 0.0 113.598 168.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.82 18.29 20.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.334 1.454 . . . . 0.0 112.305 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 59.55 20.16 8.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.577 1.951 . . . . 0.0 114.86 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.64 122.43 24.65 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 171.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -96.79 141.43 30.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.101 0.96 . . . . 0.0 112.189 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -132.01 148.08 52.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.75 1.62 . . . . 0.0 109.689 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.15 139.95 26.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.059 0.944 . . . . 0.0 112.323 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.98 107.95 6.92 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.623 1.169 . . . . 0.0 110.766 -170.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.61 149.03 54.59 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.677 2.251 . . . . 0.0 111.993 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 18.97 78.63 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 172.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.01 164.08 13.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.548 1.539 . . . . 0.0 111.995 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.4 167.57 21.83 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.025 2.13 . . . . 0.0 110.262 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.07 123.42 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.262 -0.899 . . . . 0.0 110.058 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.46 -38.53 4.21 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.809 1.671 . . . . 0.0 114.65 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 mtm105 -143.69 151.97 40.73 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.959 1.303 . . . . 0.0 111.926 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -125.45 124.91 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.924 1.689 . . . . 0.0 107.983 164.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -131.6 97.15 4.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 110.455 -170.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.5 HD22 ' H ' ' B' ' 53' ' ' LEU . 1.2 mm? -73.16 -27.24 61.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.423 1.089 . . . . 0.0 111.651 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -69.12 -50.58 46.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.363 1.465 . . . . 0.0 110.898 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -84.49 -19.83 32.66 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 113.284 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.07 45.6 19.53 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.749 1.166 . . . . 0.0 112.954 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.9 143.54 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.113 1.365 . . . . 0.0 111.6 -171.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -124.88 120.23 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.409 1.484 . . . . 0.0 108.868 167.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -98.82 123.07 42.83 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.048 0.939 . . . . 0.0 110.73 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mp -100.02 144.55 28.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.011 1.324 . . . . 0.0 109.971 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.66 157.76 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.996 1.719 . . . . 0.0 110.933 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.9 126.14 30.44 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.009 -1.057 . . . . 0.0 112.254 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.449 ' HG2' ' H ' ' B' ' 65' ' ' ASN . 53.5 tt0 -89.34 139.1 30.85 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.607 1.563 . . . . 0.0 112.346 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -91.97 -2.22 56.86 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASN . . . . . 0.449 ' H ' ' HG2' ' B' ' 63' ' ' GLU . 90.2 m-20 -79.79 -14.51 58.65 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.922 1.689 . . . . 0.0 113.648 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 125.584 1.553 . . . . 0.0 114.387 -176.51 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 119.631 -0.538 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.22 164.82 33.61 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.719 2.946 . . . . 0.0 112.895 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.41 -148.61 3.21 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.704 1.145 . . . . 0.0 112.893 167.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.3 m -61.41 137.91 58.25 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.653 -0.91 . . . . 0.0 111.973 173.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mmm -123.41 154.08 39.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.347 1.459 . . . . 0.0 112.58 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 t -144.34 150.02 37.13 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.865 1.666 . . . . 0.0 110.342 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.82 162.43 38.63 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 126.081 1.752 . . . . 0.0 110.437 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.28 179.12 6.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.196 1.398 . . . . 0.0 111.955 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -108.56 140.38 41.99 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.278 0.631 . . . . 0.0 111.252 159.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -85.72 139.09 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 123.786 0.834 . . . . 0.0 109.041 165.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -139.87 137.74 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.077 1.351 . . . . 0.0 110.061 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -154.42 161.97 41.42 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.612 1.165 . . . . 0.0 111.977 -173.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.1 m -127.1 127.22 44.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.976 0.911 . . . . 0.0 109.897 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -69.1 163.17 25.39 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.7 1.6 . . . . 0.0 112.115 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.25 67.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.278 1.031 . . . . 0.0 112.684 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.61 -7.19 50.94 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.192 1.797 . . . . 0.0 114.011 173.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.23 4.46 88.13 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.641 1.591 . . . . 0.0 114.605 -172.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.96 125.04 7.24 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.379 0.99 . . . . 0.0 112.606 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -79.29 137.25 37.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.392 1.077 . . . . 0.0 110.914 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.98 137.62 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.681 1.592 . . . . 0.0 110.338 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -141.6 138.59 32.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.182 1.393 . . . . 0.0 111.326 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.01 123.07 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.756 1.622 . . . . 0.0 109.111 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.71 169.09 35.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.235 0.921 . . . . 0.0 114.937 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 55.78 33.3 21.19 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.17 1.788 . . . . 0.0 114.39 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.12 125.65 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.052 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.75 -33.72 12.18 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.887 0.875 . . . . 0.0 112.405 167.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -133.63 139.07 46.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.728 0.811 . . . . 0.0 113.06 -170.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.0 t -138.34 136.42 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.159 1.384 . . . . 0.0 108.727 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -141.67 141.4 33.35 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.061 1.345 . . . . 0.0 110.44 -170.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.55 134.47 54.83 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.387 1.075 . . . . 0.0 110.471 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -128.02 -165.84 1.54 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.983 2.113 . . . . 0.0 110.94 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.79 73.31 0.36 Allowed Glycine 0 CA--C 1.538 1.529 0 C-N-CA 125.176 1.369 . . . . 0.0 114.262 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.74 12.24 55.83 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 126.165 1.84 . . . . 0.0 115.622 175.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.95 161.13 43.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.872 1.269 . . . . 0.0 112.418 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.1 m -111.52 156.54 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.343 1.057 . . . . 0.0 112.172 169.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -134.47 139.16 45.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.613 1.965 . . . . 0.0 110.685 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -131.76 133.14 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.056 1.742 . . . . 0.0 110.244 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -129.06 137.39 51.25 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.598 1.09 . . . . 0.0 112.702 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -96.7 167.8 10.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.948 1.299 . . . . 0.0 114.322 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -55.59 -25.94 41.1 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.197 2.199 . . . . 0.0 113.706 170.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.05 19.65 20.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.45 1.5 . . . . 0.0 113.547 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t0 60.0 27.9 17.36 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.721 2.008 . . . . 0.0 114.998 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -76.55 146.92 38.05 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.964 -1.085 . . . . 0.0 110.219 160.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -130.11 138.41 50.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.206 1.003 . . . . 0.0 111.538 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -129.53 144.21 51.17 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.721 1.608 . . . . 0.0 109.288 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 144.04 32.32 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.342 0.657 . . . . 0.0 111.858 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -143.29 115.01 5.8 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 124.141 0.976 . . . . 0.0 111.101 -172.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.05 147.49 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.681 2.254 . . . . 0.0 112.032 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.14 13.36 82.8 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 173.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 mt -102.72 166.8 10.29 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.427 1.114 . . . . 0.0 112.198 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.21 158.41 43.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.716 2.006 . . . . 0.0 110.975 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.34 124.32 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.44 -50.96 1.63 Allowed Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.096 1.332 . . . . 0.0 113.93 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -146.53 150.08 34.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.564 1.546 . . . . 0.0 111.75 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.0 t -132.13 106.73 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.217 1.807 . . . . 0.0 107.85 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.52 102.8 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.957 1.303 . . . . 0.0 110.567 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.19 -47.82 63.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.736 -0.603 . . . . 0.0 111.741 -172.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.13 -40.47 90.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.926 0.89 . . . . 0.0 112.038 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t -71.82 -30.75 65.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.251 1.021 . . . . 0.0 112.81 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 40.21 37.27 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.504 1.05 . . . . 0.0 112.604 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -135.66 136.22 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.858 1.263 . . . . 0.0 111.828 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -123.78 120.53 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.682 1.593 . . . . 0.0 109.193 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.1 t -97.43 124.86 41.76 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.96 1.304 . . . . 0.0 110.715 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.54 144.46 41.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.647 1.179 . . . . 0.0 110.847 173.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.48 160.7 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.102 1.361 . . . . 0.0 111.696 -168.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -67.88 124.26 22.85 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.573 1.149 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.35 105.31 0.19 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -161.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -133.66 39.25 3.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.553 2.341 . . . . 0.0 109.827 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -73.23 -3.41 26.65 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 127.022 2.129 . . . . 0.0 114.256 -175.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptm85 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.953 1.701 . . . . 0.0 114.104 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 CA-C-O 119.219 -0.767 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.86 145.28 40.97 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 124.089 3.193 . . . . 0.0 114.251 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 80.21 -43.36 2.68 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.763 1.649 . . . . 0.0 113.895 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 39.9 t -71.28 -35.6 71.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.147 0.979 . . . . 0.0 111.616 168.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -146.26 173.33 12.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.287 1.835 . . . . 0.0 110.892 169.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 18.0 t -153.43 154.89 35.31 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.107 1.363 . . . . 0.0 111.121 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptm -150.87 159.51 44.5 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.115 2.166 . . . . 0.0 110.003 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 -177.46 5.07 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.367 1.067 . . . . 0.0 112.591 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -123.9 141.44 52.03 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.373 1.069 . . . . 0.0 111.394 165.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.9 143.75 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.857 0.863 . . . . 0.0 110.179 170.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.81 140.66 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.657 1.583 . . . . 0.0 111.118 171.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -151.96 167.21 29.12 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.371 1.868 . . . . 0.0 111.086 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.2 m -130.79 130.75 44.09 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.942 0.897 . . . . 0.0 110.943 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -71.7 164.73 25.41 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.59 1.556 . . . . 0.0 113.134 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.35 -27.55 68.66 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.738 1.215 . . . . 0.0 113.208 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -77.37 -2.15 33.61 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.866 1.266 . . . . 0.0 113.564 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.25 1.46 75.39 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 126.251 1.881 . . . . 0.0 114.911 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.71 129.33 9.19 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-N 119.253 1.527 . . . . 0.0 112.97 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -74.81 139.31 43.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.727 1.211 . . . . 0.0 111.176 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.37 142.13 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.316 1.447 . . . . 0.0 110.152 -174.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -140.13 152.76 46.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.634 1.174 . . . . 0.0 112.579 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.4 mt -127.27 122.91 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.774 1.63 . . . . 0.0 108.512 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.48 165.56 32.53 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.607 1.099 . . . . 0.0 114.354 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.06 39.13 30.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.312 1.845 . . . . 0.0 113.675 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 94.5 t -70.86 129.05 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.694 1.198 . . . . 0.0 110.717 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -99.05 -34.36 10.43 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.59 1.556 . . . . 0.0 111.943 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -159.22 154.23 25.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.773 1.229 . . . . 0.0 113.694 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -132.86 143.07 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.676 1.99 . . . . 0.0 109.999 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -136.97 132.05 33.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.832 1.253 . . . . 0.0 111.528 -171.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.79 124.64 39.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.065 0.946 . . . . 0.0 110.472 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -107.09 -176.18 3.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.72 1.608 . . . . 0.0 110.757 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.84 81.74 0.12 Allowed Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.077 -1.015 . . . . 0.0 113.299 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 23.41 40.48 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.054 1.311 . . . . 0.0 114.995 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.71 165.9 35.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.798 1.239 . . . . 0.0 112.696 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.77 145.98 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.088 1.355 . . . . 0.0 111.43 168.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -119.73 148.31 43.56 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.988 1.715 . . . . 0.0 110.698 168.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.51 129.05 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.968 1.707 . . . . 0.0 109.426 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.9 m -124.91 132.25 53.32 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.7 p -90.81 164.14 14.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.072 1.349 . . . . 0.0 113.281 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.87 -18.66 57.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 113.449 172.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -107.2 22.25 16.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.768 1.627 . . . . 0.0 113.092 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.75 13.98 6.9 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.507 2.323 . . . . 0.0 116.334 174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.63 144.4 41.75 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.947 -1.095 . . . . 0.0 110.865 163.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -129.99 144.19 51.2 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.141 1.377 . . . . 0.0 111.532 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -129.69 149.2 51.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 126.511 1.924 . . . . 0.0 110.278 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 142.79 34.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.973 0.909 . . . . 0.0 112.551 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -140.0 95.09 8.66 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.53 1.532 . . . . 0.0 111.743 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -67.08 138.67 48.29 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.623 2.215 . . . . 0.0 111.431 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.45 2.91 88.86 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.664 1.126 . . . . 0.0 115.292 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 mt -99.01 162.37 13.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.841 1.32 . . . . 0.0 112.172 166.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 156.57 47.26 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.752 2.421 . . . . 0.0 109.605 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.1 mt -71.63 121.26 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.794 -1.191 . . . . 0.0 108.789 173.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.72 -60.57 1.27 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.378 0.99 . . . . 0.0 112.835 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -145.03 155.59 43.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.583 1.153 . . . . 0.0 112.807 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.95 134.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 127.463 2.305 . . . . 0.0 108.677 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -140.03 100.93 4.04 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.114 1.365 . . . . 0.0 109.471 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 65.7 mt -80.47 -18.14 49.54 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.694 1.198 . . . . 0.0 112.93 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -68.95 -44.7 72.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.287 1.435 . . . . 0.0 109.849 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -76.38 -32.52 58.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.594 1.158 . . . . 0.0 113.224 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.57 34.43 22.53 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.413 1.483 . . . . 0.0 113.237 -174.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.84 141.15 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.976 1.31 . . . . 0.0 112.171 -169.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -122.19 126.55 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.89 1.676 . . . . 0.0 108.772 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 42.2 t -110.26 126.21 53.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.582 1.153 . . . . 0.0 111.247 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.9 mt -96.57 151.68 19.36 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.326 1.05 . . . . 0.0 112.128 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.29 162.06 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.853 1.661 . . . . 0.0 111.315 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -71.45 122.16 19.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.683 0.793 . . . . 0.0 111.872 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -58.34 134.23 56.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.987 1.315 . . . . 0.0 111.098 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -152.27 20.92 0.65 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.528 1.131 . . . . 0.0 112.938 -171.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -85.97 -23.33 26.93 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.587 1.155 . . . . 0.0 112.491 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 . . . . . 0 C--O 1.256 1.403 0 CA-C-O 117.233 -1.365 . . . . 0.0 113.685 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.423 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.03 154.01 54.02 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 124.079 3.186 . . . . 0.0 114.553 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 173.14 -172.51 45.19 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.758 1.171 . . . . 0.0 113.156 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.0 t -66.69 143.9 56.69 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.779 0.832 . . . . 0.0 111.972 174.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm -124.01 136.37 54.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.107 1.363 . . . . 0.0 111.201 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.1 m -140.16 34.9 1.91 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.46 1.104 . . . . 0.0 113.059 -173.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 133.68 55.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.017 0.927 . . . . 0.0 111.871 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.44 -174.75 2.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.714 1.605 . . . . 0.0 112.201 -173.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.64 139.2 52.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.054 0.942 . . . . 0.0 111.307 159.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 t -91.14 145.07 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.645 1.178 . . . . 0.0 110.198 173.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.26 136.96 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.513 1.525 . . . . 0.0 111.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -151.93 168.44 25.16 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.34 1.856 . . . . 0.0 111.702 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m -130.92 130.6 43.7 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.808 0.843 . . . . 0.0 110.705 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -69.14 162.63 26.6 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.924 1.69 . . . . 0.0 112.616 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.56 -27.1 67.41 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.551 1.14 . . . . 0.0 113.157 169.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -70.89 -6.75 40.7 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.305 1.842 . . . . 0.0 113.657 172.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.95 4.51 90.26 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.572 1.558 . . . . 0.0 114.636 -171.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.84 122.12 6.16 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.39 0.995 . . . . 0.0 112.82 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.4 tpp85 -71.25 132.9 45.63 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.78 1.232 . . . . 0.0 110.912 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.53 139.0 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.82 1.648 . . . . 0.0 110.431 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -135.0 147.21 49.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.675 1.19 . . . . 0.0 111.58 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -128.67 118.16 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.404 1.482 . . . . 0.0 108.472 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.01 166.7 37.27 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.381 0.991 . . . . 0.0 114.424 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 54.19 36.75 25.72 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.578 1.551 . . . . 0.0 114.356 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -76.29 119.09 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.011 1.324 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tt -88.91 -33.95 17.1 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.586 1.154 . . . . 0.0 112.227 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -153.36 155.44 36.44 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.857 0.863 . . . . 0.0 112.698 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.1 t -136.62 142.26 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.826 1.651 . . . . 0.0 110.334 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 mtm105 -137.06 154.63 50.29 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.283 1.833 . . . . 0.0 111.442 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -127.23 135.87 51.23 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.584 1.554 . . . . 0.0 111.213 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -107.98 7.06 27.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.801 1.641 . . . . 0.0 113.988 -168.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.86 34.95 88.76 Favored Glycine 0 CA--C 1.545 1.923 0 C-N-CA 123.927 0.775 . . . . 0.0 113.224 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.87 -19.09 0.05 OUTLIER Glycine 0 CA--C 1.539 1.561 0 C-N-CA 126.192 1.853 . . . . 0.0 113.869 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.94 162.84 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.635 1.974 . . . . 0.0 110.273 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 m -107.0 160.2 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-O 121.245 0.545 . . . . 0.0 111.803 160.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -134.05 135.36 43.26 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.113 2.165 . . . . 0.0 109.397 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.9 t -129.73 118.33 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 126.319 1.848 . . . . 0.0 109.392 -171.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.7 m -117.93 131.68 56.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.56 0.744 . . . . 0.0 112.002 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -83.1 166.79 18.41 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.468 1.107 . . . . 0.0 113.783 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.0 tp -54.21 -21.0 7.84 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.503 2.321 . . . . 0.0 113.375 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.49 18.09 21.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.283 1.833 . . . . 0.0 113.324 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.31 15.39 8.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.344 2.258 . . . . 0.0 115.897 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -76.75 142.38 40.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.929 -1.107 . . . . 0.0 110.352 166.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -125.37 129.47 49.99 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.374 0.67 . . . . 0.0 112.067 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -103.86 153.88 20.26 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.375 1.87 . . . . 0.0 110.005 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.97 35.83 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.881 0.872 . . . . 0.0 112.096 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.28 101.16 7.58 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.31 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.11 146.25 97.86 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.857 3.038 . . . . 0.0 113.753 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.05 3.9 70.54 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.032 1.301 . . . . 0.0 116.195 173.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.71 166.07 11.66 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.906 1.283 . . . . 0.0 112.083 170.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.01 161.44 37.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.847 2.459 . . . . 0.0 110.309 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.37 119.77 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.367 -0.833 . . . . 0.0 109.306 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.56 -40.76 4.64 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.99 1.281 . . . . 0.0 114.051 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -148.63 156.04 41.88 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.437 1.095 . . . . 0.0 112.383 172.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -130.68 109.56 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.08 1.752 . . . . 0.0 108.096 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -107.17 87.09 2.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.646 1.179 . . . . 0.0 109.931 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 53' ' ' LEU . 2.4 mm? -61.33 -38.48 87.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.935 0.894 . . . . 0.0 112.191 -176.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.53 -34.58 78.56 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.934 1.694 . . . . 0.0 113.182 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 t -91.12 -29.4 17.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.722 1.209 . . . . 0.0 113.806 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.15 35.0 28.26 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.704 1.145 . . . . 0.0 112.947 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.11 140.61 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.845 1.258 . . . . 0.0 111.796 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -122.76 126.47 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.549 1.54 . . . . 0.0 109.227 173.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -101.39 137.99 39.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.589 1.155 . . . . 0.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.74 143.81 43.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.934 1.294 . . . . 0.0 111.327 174.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 162.22 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.407 1.883 . . . . 0.0 110.987 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -74.46 122.45 23.04 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.525 -0.734 . . . . 0.0 112.028 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' ' 65' ' ' ASN . 47.9 tt0 -62.39 132.61 53.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.706 1.203 . . . . 0.0 112.582 -174.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -84.11 1.12 45.66 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.274 1.03 . . . . 0.0 113.572 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.403 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 8.7 t-20 -75.94 -20.27 58.09 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.87 1.268 . . . . 0.0 113.271 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.818 2.047 . . . . 0.0 112.553 178.632 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 119.935 -0.37 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.31 159.26 53.11 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.198 3.265 . . . . 0.0 112.977 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.01 157.74 53.11 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.342 0.973 . . . . 0.0 114.378 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 18.6 m -75.98 -5.95 48.69 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.27 1.428 . . . . 0.0 114.836 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm -147.76 171.64 15.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.22 1.808 . . . . 0.0 111.149 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 8.7 t -138.67 156.95 46.98 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.012 0.925 . . . . 0.0 112.856 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.7 ptm -157.12 164.69 37.59 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.274 2.229 . . . . 0.0 110.306 -168.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.37 -178.82 5.46 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.281 -174.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -123.06 149.06 44.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.799 1.64 . . . . 0.0 111.5 165.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.32 143.62 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.062 1.345 . . . . 0.0 110.325 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -134.45 140.98 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.571 1.549 . . . . 0.0 111.411 172.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -149.06 161.39 42.04 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.199 1.8 . . . . 0.0 110.798 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 25.5 m -133.54 131.0 39.24 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.668 0.787 . . . . 0.0 111.188 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -69.59 163.8 24.69 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.773 1.629 . . . . 0.0 112.42 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.85 69.02 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.927 0.891 . . . . 0.0 112.905 169.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -73.68 -5.44 40.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.898 1.679 . . . . 0.0 114.135 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.31 8.66 83.18 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.367 1.461 . . . . 0.0 114.716 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.82 118.48 4.63 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 118.372 1.086 . . . . 0.0 111.739 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -79.38 141.37 36.95 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 117.895 0.847 . . . . 0.0 110.723 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.54 138.24 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.548 1.939 . . . . 0.0 109.829 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -135.66 145.18 46.51 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.847 1.259 . . . . 0.0 111.817 -175.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.98 121.38 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.427 1.491 . . . . 0.0 108.82 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.8 168.89 33.32 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.431 1.015 . . . . 0.0 113.631 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 56.16 36.33 27.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.02 1.728 . . . . 0.0 114.518 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.36 129.25 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.63 1.572 . . . . 0.0 110.978 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.17 -23.0 13.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.453 1.101 . . . . 0.0 113.654 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -158.3 153.84 26.15 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 172.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 56.7 t -134.94 140.69 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.256 2.222 . . . . 0.0 109.16 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -136.73 147.58 46.8 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.716 1.206 . . . . 0.0 111.709 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 124.68 50.62 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.615 1.166 . . . . 0.0 111.17 171.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -88.47 172.83 9.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.732 1.613 . . . . 0.0 111.145 167.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 48.63 1.22 Allowed Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.183 1.373 . . . . 0.0 114.131 173.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.99 3.43 0.21 Allowed Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.339 1.447 . . . . 0.0 116.182 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.31 162.9 37.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.677 1.739 . . . . 0.0 112.692 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -112.3 143.59 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.616 1.166 . . . . 0.0 111.572 167.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -122.37 145.9 47.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.634 2.373 . . . . 0.0 110.777 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.24 137.01 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.986 1.714 . . . . 0.0 110.478 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.0 m -131.52 128.18 38.8 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.205 1.002 . . . . 0.0 112.007 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.6 p -90.18 169.99 10.68 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -52.98 -29.16 27.4 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.945 2.098 . . . . 0.0 113.781 168.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -99.11 18.58 17.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.256 1.423 . . . . 0.0 112.969 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.29 3.0 p30 56.24 20.07 4.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 129.208 3.003 . . . . 0.0 115.227 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.77 134.84 46.45 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.968 168.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -109.94 135.88 50.1 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.397 1.079 . . . . 0.0 111.795 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -123.16 146.82 47.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.65 1.58 . . . . 0.0 109.196 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.94 142.95 30.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 112.49 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -139.63 107.19 7.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.988 1.315 . . . . 0.0 111.049 -169.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.79 144.87 49.69 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.961 2.441 . . . . 0.0 111.686 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.62 80.52 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 124.266 0.936 . . . . 0.0 114.976 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 40.2 mt -106.68 162.17 14.0 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.98 1.39 . . . . 0.0 112.295 170.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 155.84 48.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.553 1.941 . . . . 0.0 110.666 168.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 51.5 mt -74.69 119.83 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.07 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.96 -42.13 2.7 Favored Glycine 0 N--CA 1.474 1.222 0 C-N-CA 124.456 1.026 . . . . 0.0 114.384 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -149.91 145.32 26.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.83 1.252 . . . . 0.0 111.743 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -139.79 105.33 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.557 1.943 . . . . 0.0 108.606 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -110.37 112.91 25.16 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.082 0.953 . . . . 0.0 109.966 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 54.9 mt -86.47 -26.62 24.55 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -66.88 -42.46 85.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.539 1.135 . . . . 0.0 111.972 176.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 84.8 p -86.89 -21.44 26.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.409 1.084 . . . . 0.0 113.601 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.76 46.11 25.23 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.732 1.158 . . . . 0.0 112.864 -178.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -129.28 133.29 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.213 1.005 . . . . 0.0 111.471 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -120.78 129.2 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.935 1.694 . . . . 0.0 108.576 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.37 128.43 55.51 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.222 1.409 . . . . 0.0 110.776 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -98.72 151.11 21.1 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.53 1.132 . . . . 0.0 111.754 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -128.97 160.82 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 126.03 1.732 . . . . 0.0 111.019 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -78.66 115.23 18.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.041 0.936 . . . . 0.0 112.037 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -77.12 128.73 34.94 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.26 1.424 . . . . 0.0 111.368 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -89.64 2.09 55.18 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -77.52 -4.81 47.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.44 1.896 . . . . 0.0 113.735 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 C--O 1.255 1.387 0 C-N-CA 127.581 2.353 . . . . 0.0 114.968 178.867 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 CA-C-O 119.61 -0.55 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.57 148.0 77.61 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.849 3.033 . . . . 0.0 112.978 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.26 151.88 33.63 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.654 1.121 . . . . 0.0 114.136 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 86.1 p -83.32 173.25 11.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.35 1.46 . . . . 0.0 112.135 170.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ptm -141.78 152.6 43.9 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.159 1.383 . . . . 0.0 111.642 170.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t -88.27 142.76 27.48 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.066 0.946 . . . . 0.0 112.956 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -150.4 156.36 41.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.436 2.294 . . . . 0.0 109.481 170.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.74 -178.51 4.06 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.351 1.06 . . . . 0.0 112.729 -170.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -121.96 134.42 54.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.064 1.345 . . . . 0.0 111.536 165.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.6 t -92.44 143.19 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.55 1.14 . . . . 0.0 109.878 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -140.93 143.23 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -150.38 157.09 42.66 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.795 2.038 . . . . 0.0 110.872 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 m -136.7 132.7 35.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.729 0.812 . . . . 0.0 111.435 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -71.94 162.35 29.58 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.1 1.76 . . . . 0.0 112.673 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.56 -26.26 68.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.948 0.899 . . . . 0.0 112.734 170.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -75.34 -4.56 39.97 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.06 1.744 . . . . 0.0 113.788 172.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.56 5.72 84.23 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.603 1.573 . . . . 0.0 114.68 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.22 123.77 6.45 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 118.169 0.985 . . . . 0.0 111.26 177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -95.79 141.15 29.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.908 0.883 . . . . 0.0 112.05 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t -131.12 136.06 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 126.02 1.728 . . . . 0.0 109.116 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -142.22 153.25 43.84 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 112.537 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.3 mt -131.11 123.27 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.714 1.605 . . . . 0.0 108.241 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.02 168.4 32.59 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.57 1.081 . . . . 0.0 113.547 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 55.32 36.77 27.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.672 1.589 . . . . 0.0 113.92 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.2 125.93 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.143 1.777 . . . . 0.0 111.783 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tt -96.12 -36.02 11.13 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 125.168 1.387 . . . . 0.0 111.907 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -151.59 156.08 39.74 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.146 0.979 . . . . 0.0 113.454 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -139.62 140.86 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.611 1.964 . . . . 0.0 109.912 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 mtp85 -130.52 137.66 49.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.916 1.687 . . . . 0.0 112.111 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.39 120.59 33.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 109.82 161.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -94.59 -179.65 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.125 1.77 . . . . 0.0 110.955 172.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.8 86.63 0.12 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 120.996 -1.065 . . . . 0.0 111.813 168.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 21.7 43.92 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.872 1.701 . . . . 0.0 115.594 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.86 165.14 37.38 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.228 1.514 . . . . 0.0 112.776 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -114.84 144.28 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.724 1.21 . . . . 0.0 111.11 166.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -123.89 145.92 48.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.066 1.746 . . . . 0.0 110.937 171.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.9 t -135.59 136.14 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.376 1.87 . . . . 0.0 109.536 -173.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -130.82 126.72 37.02 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.888 0.875 . . . . 0.0 111.438 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -78.21 166.33 22.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.079 0.952 . . . . 0.0 113.014 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.81 -31.01 66.19 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.685 1.194 . . . . 0.0 111.844 172.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -86.66 13.65 8.29 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.154 1.782 . . . . 0.0 113.871 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 63.01 20.37 12.25 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.873 2.069 . . . . 0.0 115.482 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.23 127.93 34.3 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.353 -1.467 . . . . 0.0 110.122 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -102.61 141.69 35.01 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.613 1.165 . . . . 0.0 112.356 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -135.18 149.7 49.99 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.913 1.685 . . . . 0.0 110.228 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.87 143.23 33.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.532 1.133 . . . . 0.0 112.493 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -141.23 103.82 6.08 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.118 1.367 . . . . 0.0 111.423 -172.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 147.57 59.25 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 122.5 2.133 . . . . 0.0 112.102 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 6.14 89.34 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.384 1.469 . . . . 0.0 114.84 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.1 mt -106.6 163.78 12.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.714 1.206 . . . . 0.0 112.44 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.55 160.55 39.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.27 2.228 . . . . 0.0 110.19 167.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.74 122.05 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.394 -0.817 . . . . 0.0 108.844 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.6 -72.82 1.18 Allowed Glycine 0 CA--C 1.522 0.512 0 C-N-CA 124.444 1.021 . . . . 0.0 113.097 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -136.99 143.31 42.72 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.226 1.01 . . . . 0.0 111.833 -174.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.28 111.76 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.819 1.648 . . . . 0.0 109.473 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.8 109.78 21.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.009 1.324 . . . . 0.0 109.557 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -51.48 17.53 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.904 -0.497 . . . . 0.0 111.35 -175.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -23.55 65.62 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -91.97 -17.87 24.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.181 1.392 . . . . 0.0 113.821 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.02 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.381 1.467 . . . . 0.0 113.833 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.41 136.56 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.761 1.28 . . . . 0.0 111.889 -175.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.4 mt -127.03 112.98 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.665 1.586 . . . . 0.0 109.327 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.2 m -97.57 124.72 41.93 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.039 1.335 . . . . 0.0 111.101 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -88.83 156.33 19.01 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.998 0.919 . . . . 0.0 112.074 174.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.94 162.27 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.016 1.727 . . . . 0.0 111.213 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -71.01 122.32 19.8 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.941 0.896 . . . . 0.0 111.293 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.93 129.08 40.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.882 0.873 . . . . 0.0 111.251 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -144.57 29.36 1.26 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.751 1.221 . . . . 0.0 113.591 -165.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -79.72 -7.85 58.87 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.524 1.129 . . . . 0.0 113.444 174.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 127.518 2.327 . . . . 0.0 113.232 -178.821 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 CA-C-O 119.226 -0.763 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.39 166.04 11.98 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.136 3.224 . . . . 0.0 114.476 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -147.72 -179.88 24.08 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.97 1.272 . . . . 0.0 113.805 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 95.4 p -151.84 171.22 18.07 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.832 1.653 . . . . 0.0 112.06 -176.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtm 57.61 -162.77 0.2 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.196 1.798 . . . . 0.0 113.431 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t -133.63 145.73 50.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.083 1.353 . . . . 0.0 109.759 164.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -147.8 171.4 15.76 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.719 1.607 . . . . 0.0 110.459 -176.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.96 173.32 11.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.203 1.001 . . . . 0.0 112.42 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -103.2 143.8 32.15 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.011 0.924 . . . . 0.0 110.534 158.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t -98.89 138.78 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.154 . . . . 0.0 109.682 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -134.95 142.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.747 1.219 . . . . 0.0 111.762 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -147.31 155.64 42.2 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.175 1.79 . . . . 0.0 110.65 176.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 62.5 m -137.86 129.05 27.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.107 0.963 . . . . 0.0 111.006 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -67.97 162.28 24.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.243 1.417 . . . . 0.0 112.371 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.64 -27.19 67.6 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.037 0.935 . . . . 0.0 112.966 169.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -75.29 -3.42 33.25 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.234 1.813 . . . . 0.0 113.917 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.13 6.06 82.23 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.369 1.462 . . . . 0.0 114.554 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.18 107.12 2.27 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 118.536 1.168 . . . . 0.0 112.193 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -81.74 139.64 34.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.575 1.15 . . . . 0.0 111.422 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.6 t -135.21 140.11 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.0 1.72 . . . . 0.0 109.754 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -140.41 140.37 35.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.022 1.329 . . . . 0.0 111.489 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mt -126.01 122.07 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 125.419 1.488 . . . . 0.0 108.29 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.84 168.44 31.58 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.592 1.092 . . . . 0.0 114.001 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 57.31 35.16 25.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.293 1.437 . . . . 0.0 114.571 171.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -74.63 129.18 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.102 1.761 . . . . 0.0 111.172 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -97.14 -26.22 15.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.937 1.295 . . . . 0.0 112.629 174.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -156.14 153.58 29.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -137.34 140.17 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.487 1.915 . . . . 0.0 109.834 176.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -134.84 127.87 31.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.781 1.233 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.21 131.09 35.49 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.8 0.84 . . . . 0.0 110.119 159.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -111.54 13.31 21.34 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.88 1.272 . . . . 0.0 113.301 -168.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.35 45.45 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.716 1.151 . . . . 0.0 114.302 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.1 -13.96 0.11 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.621 1.581 . . . . 0.0 114.342 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.44 168.88 22.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.845 2.058 . . . . 0.0 110.037 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.13 159.95 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 162.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -131.96 144.26 50.69 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.058 2.143 . . . . 0.0 110.165 176.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -134.92 131.72 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.868 2.067 . . . . 0.0 109.693 -175.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 91.7 m -131.45 130.8 42.94 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.727 0.694 . . . . 0.0 112.327 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.6 p -102.22 165.4 11.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.348 1.459 . . . . 0.0 113.135 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.84 -10.97 42.83 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -81.02 3.58 22.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.88 1.272 . . . . 0.0 113.397 174.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 t0 61.71 19.74 10.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.678 1.991 . . . . 0.0 113.693 -170.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -89.07 142.34 27.73 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.992 1.317 . . . . 0.0 111.463 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -126.3 142.3 51.58 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.464 1.506 . . . . 0.0 111.026 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -129.43 145.89 51.36 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.412 1.885 . . . . 0.0 110.099 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.84 143.96 35.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.712 0.805 . . . . 0.0 112.776 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -142.26 104.15 5.57 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 124.553 1.141 . . . . 0.0 111.275 -170.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.73 146.99 95.28 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.5 2.8 . . . . 0.0 113.347 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.62 4.33 80.85 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.855 1.102 . . . . 0.0 115.855 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.61 166.75 11.52 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.238 1.519 . . . . 0.0 112.836 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.68 160.98 40.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -77.17 119.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.529 -0.732 . . . . 0.0 109.138 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.86 -42.64 3.78 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.338 0.97 . . . . 0.0 114.044 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -150.37 147.93 28.19 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.39 1.076 . . . . 0.0 111.916 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.65 132.93 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.015 1.726 . . . . 0.0 109.925 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.59 109.71 11.6 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.98 1.712 . . . . 0.0 109.988 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.42 -41.18 48.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.08 0.952 . . . . 0.0 112.454 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -62.5 -48.86 77.73 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.29 1.036 . . . . 0.0 111.094 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -75.06 -23.4 58.07 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.65 1.18 . . . . 0.0 113.274 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.35 46.06 43.91 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.856 1.217 . . . . 0.0 113.01 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.62 139.1 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.691 1.196 . . . . 0.0 112.01 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -128.84 123.74 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.147 1.779 . . . . 0.0 108.46 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -104.89 125.87 51.37 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.062 0.945 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.38 150.03 20.72 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.9 1.28 . . . . 0.0 111.573 173.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.14 157.72 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.09 1.756 . . . . 0.0 110.644 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -76.42 122.88 25.15 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.872 0.869 . . . . 0.0 109.148 173.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.04 103.27 0.13 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.643 1.177 . . . . 0.0 113.051 -161.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -140.01 37.9 1.95 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.19 2.196 . . . . 0.0 109.193 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -64.31 -9.05 15.2 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.853 1.661 . . . . 0.0 115.407 -164.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.094 1.758 . . . . 0.0 114.012 178.666 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.427 0 CA-C-O 118.581 -1.122 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -64.76 -25.92 60.66 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.547 2.831 . . . . 0.0 115.24 -178.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.91 158.89 53.8 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.232 0.92 . . . . 0.0 114.24 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.5 p -73.67 -24.24 59.94 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.278 1.031 . . . . 0.0 113.056 171.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mmm 55.36 52.38 11.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.418 1.887 . . . . 0.0 114.404 174.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m -85.72 173.03 10.39 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.632 166.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 167.79 21.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 110.791 165.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.15 175.04 9.9 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.969 1.308 . . . . 0.0 111.461 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.58 141.78 35.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.257 0.623 . . . . 0.0 111.238 158.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.79 142.67 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.965 0.906 . . . . 0.0 109.316 162.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 p -132.57 138.44 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.281 1.432 . . . . 0.0 110.7 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -153.06 165.49 35.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.474 1.51 . . . . 0.0 111.568 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.6 m -135.92 130.68 34.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.454 1.102 . . . . 0.0 110.442 175.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.12 163.48 22.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.553 1.541 . . . . 0.0 112.498 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -27.21 69.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.016 0.926 . . . . 0.0 112.755 169.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -74.94 -4.55 38.8 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.04 1.736 . . . . 0.0 113.91 171.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.84 5.79 80.64 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.207 1.384 . . . . 0.0 114.652 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.97 113.61 3.77 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.569 1.184 . . . . 0.0 112.206 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -82.18 138.56 34.67 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.06 0.944 . . . . 0.0 111.161 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t -137.76 143.21 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.931 1.692 . . . . 0.0 110.093 -171.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.76 150.39 50.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.961 1.305 . . . . 0.0 111.81 171.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.5 mt -127.76 122.34 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.864 1.666 . . . . 0.0 108.327 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.93 166.21 32.38 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.194 0.902 . . . . 0.0 113.739 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 54.4 36.41 25.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.103 1.361 . . . . 0.0 113.889 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.13 129.4 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.084 1.354 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.0 -39.19 8.26 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.3 1.84 . . . . 0.0 111.075 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -155.25 161.99 41.0 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.65 138.19 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.556 1.943 . . . . 0.0 109.661 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -127.8 127.74 44.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.727 1.611 . . . . 0.0 110.9 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.12 138.3 31.54 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.835 0.854 . . . . 0.0 111.981 172.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -107.6 173.4 6.34 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.269 1.828 . . . . 0.0 110.597 168.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.15 45.64 1.17 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.874 1.226 . . . . 0.0 114.247 175.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.75 11.36 0.44 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.46 1.505 . . . . 0.0 115.881 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.19 168.9 25.85 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.432 1.616 . . . . 0.0 112.221 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.68 143.13 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.629 1.172 . . . . 0.0 111.421 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -120.89 143.69 48.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.705 2.002 . . . . 0.0 110.482 173.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.73 134.32 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.816 1.647 . . . . 0.0 109.728 -171.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -125.35 131.21 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.321 1.048 . . . . 0.0 111.109 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -90.33 166.68 13.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.125 0.97 . . . . 0.0 113.132 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.97 -23.36 53.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.644 1.977 . . . . 0.0 112.936 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -107.5 23.02 15.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.15 1.78 . . . . 0.0 113.071 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 62.46 20.14 11.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.897 2.079 . . . . 0.0 115.665 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -74.39 145.39 43.79 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.712 -1.243 . . . . 0.0 110.321 165.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -123.78 139.98 53.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.162 0.985 . . . . 0.0 111.571 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -132.39 147.96 52.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.564 1.545 . . . . 0.0 109.64 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 143.11 31.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.324 0.65 . . . . 0.0 112.386 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.68 103.85 5.86 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.871 1.268 . . . . 0.0 111.756 -168.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.5 145.93 54.24 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.002 2.468 . . . . 0.0 112.218 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.2 -3.07 87.48 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.542 1.544 . . . . 0.0 114.416 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.6 mt -94.21 162.91 13.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.798 1.299 . . . . 0.0 113.17 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.06 157.11 47.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.706 2.403 . . . . 0.0 110.074 165.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.57 114.89 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.2 -73.64 1.28 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.33 0.967 . . . . 0.0 112.813 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -141.24 148.31 39.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.808 1.243 . . . . 0.0 111.518 -171.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.78 139.51 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.568 1.547 . . . . 0.0 109.979 -169.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -143.38 99.28 3.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.417 1.487 . . . . 0.0 110.05 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -73.51 -28.99 62.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.146 1.378 . . . . 0.0 112.232 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -66.15 -40.49 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.015 1.726 . . . . 0.0 111.319 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -83.04 -30.16 28.28 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.073 1.349 . . . . 0.0 113.066 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.13 40.86 8.34 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.219 1.39 . . . . 0.0 113.177 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -131.39 139.59 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.981 1.312 . . . . 0.0 111.974 -169.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.8 mt -125.53 120.0 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 126.485 1.914 . . . . 0.0 108.59 170.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -105.19 121.74 44.47 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.036 1.335 . . . . 0.0 110.902 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -95.1 147.67 23.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.53 1.132 . . . . 0.0 110.964 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.95 157.7 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.233 1.413 . . . . 0.0 111.33 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -69.2 121.18 16.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.477 0.711 . . . . 0.0 110.78 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -54.77 111.6 0.85 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.416 1.487 . . . . 0.0 113.178 -166.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -140.31 59.55 1.56 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.792 2.037 . . . . 0.0 108.542 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -72.65 8.81 1.29 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -170.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.336 1.454 . . . . 0.0 113.561 174.236 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.876 -0.489 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.5 155.04 55.2 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.181 3.254 . . . . 0.0 114.029 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -78.8 -171.23 39.56 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.654 1.121 . . . . 0.0 114.173 175.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 21.3 m -60.66 145.42 49.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.546 1.138 . . . . 0.0 112.446 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 75.5 mtp -67.26 159.93 28.13 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.142 0.977 . . . . 0.0 113.545 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -128.23 167.33 17.02 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.757 1.623 . . . . 0.0 109.847 164.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -139.89 169.53 17.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.323 1.449 . . . . 0.0 110.019 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.66 178.53 7.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.848 0.859 . . . . 0.0 112.345 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -123.31 141.69 51.72 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 125.088 1.355 . . . . 0.0 111.564 163.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.69 142.71 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.816 0.846 . . . . 0.0 109.746 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.7 136.53 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.676 1.19 . . . . 0.0 111.232 173.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.81 165.72 33.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.558 1.543 . . . . 0.0 111.953 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 m -129.14 124.77 35.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.593 0.757 . . . . 0.0 109.959 170.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -66.45 160.13 25.62 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.863 1.665 . . . . 0.0 112.514 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.97 -20.7 66.29 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.337 1.055 . . . . 0.0 112.453 164.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.17 -9.98 27.53 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.495 2.318 . . . . 0.0 112.781 167.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.68 6.92 86.72 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 126.202 1.858 . . . . 0.0 114.052 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.19 125.08 8.45 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.713 1.149 . . . . 0.0 112.882 -175.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -77.09 140.97 40.42 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.542 1.137 . . . . 0.0 111.035 173.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -138.38 140.58 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 126.1 1.76 . . . . 0.0 110.857 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -123.17 146.53 47.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.962 1.305 . . . . 0.0 111.374 169.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 75.7 mt -129.29 113.41 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.546 1.538 . . . . 0.0 109.037 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.78 173.98 40.55 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.421 1.01 . . . . 0.0 114.853 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 56.31 34.45 24.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.417 1.887 . . . . 0.0 114.156 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.27 129.54 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.507 1.123 . . . . 0.0 110.941 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -100.52 -27.3 13.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.11 147.83 26.27 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.194 0.907 . . . . 0.0 113.185 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -140.36 143.63 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.192 1.797 . . . . 0.0 109.604 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -136.11 130.3 33.15 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.594 1.158 . . . . 0.0 111.258 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.83 129.69 34.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.431 0.634 . . . . 0.0 109.662 157.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.34 22.12 14.55 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.696 1.998 . . . . 0.0 111.703 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.45 -80.88 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.066 1.794 . . . . 0.0 111.755 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.58 90.51 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.367 0.984 . . . . 0.0 115.16 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.08 171.72 19.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.773 1.629 . . . . 0.0 110.856 -174.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 m -119.26 161.86 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.231 0.612 . . . . 0.0 112.545 158.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -131.05 147.52 52.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.213 2.205 . . . . 0.0 111.411 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 83.6 t -136.54 129.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.566 1.946 . . . . 0.0 108.907 -173.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.7 m -128.35 133.13 48.6 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.442 1.019 . . . . 0.0 112.395 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.7 p -91.53 167.14 12.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.424 1.489 . . . . 0.0 114.14 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -51.87 -26.95 11.2 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.771 2.428 . . . . 0.0 113.954 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -101.24 15.05 30.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.683 1.593 . . . . 0.0 113.92 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t0 61.78 14.95 6.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.997 2.119 . . . . 0.0 115.143 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -78.74 147.56 33.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.663 -1.273 . . . . 0.0 110.381 162.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.73 159.19 39.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.836 0.854 . . . . 0.0 113.248 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -132.55 152.57 51.54 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.088 2.155 . . . . 0.0 109.661 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 137.41 28.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.178 0.991 . . . . 0.0 112.145 -175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.91 98.69 7.67 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.361 1.065 . . . . 0.0 111.997 -171.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -61.0 144.54 99.59 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.262 2.641 . . . . 0.0 112.428 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.52 82.46 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 115.375 0.91 . . . . 0.0 115.375 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 81.1 mt -113.21 161.82 16.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 0.0 111.715 170.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.93 44.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.862 2.065 . . . . 0.0 110.901 172.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.9 121.34 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.318 -0.864 . . . . 0.0 109.685 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.62 -40.91 3.75 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.056 1.312 . . . . 0.0 113.828 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -150.42 145.53 26.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.634 1.174 . . . . 0.0 111.972 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -128.19 126.53 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.704 1.602 . . . . 0.0 108.305 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -131.92 106.88 8.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.201 1.0 . . . . 0.0 110.599 -173.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.12 -21.64 39.7 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.462 1.105 . . . . 0.0 112.355 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -64.52 -45.43 87.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 110.766 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.2 t -92.56 -26.5 17.87 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.666 1.187 . . . . 0.0 113.287 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.88 44.93 13.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.015 0.817 . . . . 0.0 112.223 -172.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.3 t -131.02 140.07 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.627 1.171 . . . . 0.0 112.009 -172.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.6 mt -123.89 113.27 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.446 . . . . 0.0 108.062 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -98.62 129.25 45.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.187 0.995 . . . . 0.0 111.48 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.46 151.59 21.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.472 1.109 . . . . 0.0 112.695 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.91 157.75 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.324 1.85 . . . . 0.0 111.296 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -72.08 120.9 18.34 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 112.009 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -64.51 129.47 39.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.056 0.942 . . . . 0.0 111.387 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -149.48 24.93 0.88 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.746 1.219 . . . . 0.0 113.163 -168.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -83.15 -4.57 58.52 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 127.693 2.397 . . . . 0.0 113.137 -176.769 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 112.271 -0.332 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.74 155.68 69.0 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.01 3.14 . . . . 0.0 112.849 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.64 150.98 48.9 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 123.926 0.774 . . . . 0.0 113.606 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 69.2 p -74.01 156.82 37.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.057 1.343 . . . . 0.0 112.327 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp -72.03 150.51 43.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.631 0.773 . . . . 0.0 112.792 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.7 m -141.62 150.32 41.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.017 1.727 . . . . 0.0 110.816 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.19 171.17 20.25 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.701 1.6 . . . . 0.0 111.142 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.75 -170.5 2.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.834 1.254 . . . . 0.0 112.391 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -122.86 132.43 54.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 110.939 161.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.74 143.89 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.106 1.363 . . . . 0.0 109.851 170.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -137.09 140.83 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.974 0.909 . . . . 0.0 111.878 169.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pp -153.42 170.74 19.98 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.942 2.097 . . . . 0.0 110.673 -178.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.0 m -133.61 133.57 42.16 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.305 -0.872 . . . . 0.0 111.862 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -70.72 165.27 23.36 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.426 1.89 . . . . 0.0 112.541 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.23 -24.6 67.95 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.702 1.201 . . . . 0.0 113.069 171.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -72.62 -8.36 54.87 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.006 1.722 . . . . 0.0 113.603 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.52 4.87 89.96 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.147 1.356 . . . . 0.0 114.474 -170.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.14 124.19 6.44 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.693 1.139 . . . . 0.0 111.919 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -76.99 143.33 39.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.163 0.982 . . . . 0.0 111.347 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -128.98 134.75 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 126.471 1.909 . . . . 0.0 109.412 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.71 134.21 30.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.863 1.265 . . . . 0.0 110.557 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.14 108.44 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.963 1.305 . . . . 0.0 109.3 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.4 164.95 47.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.521 1.058 . . . . 0.0 113.978 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 55.45 35.12 24.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.865 1.666 . . . . 0.0 114.713 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -69.1 125.78 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.047 -1.033 . . . . 0.0 110.217 170.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.2 mt -90.11 -35.46 15.42 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.68 0.792 . . . . 0.0 111.608 171.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -155.75 156.36 34.69 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 t -139.69 150.83 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.339 1.855 . . . . 0.0 110.081 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -127.53 144.22 51.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.371 1.868 . . . . 0.0 110.782 170.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.88 129.72 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.131 0.972 . . . . 0.0 110.813 166.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -102.74 172.56 6.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.351 1.86 . . . . 0.0 110.548 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.87 61.06 0.95 Allowed Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.12 1.343 . . . . 0.0 113.923 174.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.66 5.32 1.73 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.907 1.718 . . . . 0.0 115.895 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.95 167.54 27.75 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.587 1.694 . . . . 0.0 112.856 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -124.79 154.42 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.044 0.938 . . . . 0.0 112.988 162.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -133.53 122.27 23.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.487 1.915 . . . . 0.0 110.098 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -110.73 136.72 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.066 2.146 . . . . 0.0 110.122 -173.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -127.75 127.84 44.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.62 0.768 . . . . 0.0 112.436 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -93.03 167.22 11.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.937 1.295 . . . . 0.0 113.722 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -53.27 -30.08 36.54 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.182 1.793 . . . . 0.0 113.255 171.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -85.23 10.08 13.38 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.749 1.62 . . . . 0.0 113.381 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 62.81 15.38 8.15 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.937 2.095 . . . . 0.0 114.902 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.33 139.5 39.78 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.322 -0.861 . . . . 0.0 111.275 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -113.93 138.12 50.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.066 1.347 . . . . 0.0 111.319 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -133.42 124.93 27.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.204 1.402 . . . . 0.0 109.751 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.91 139.98 50.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.848 0.859 . . . . 0.0 112.167 -173.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -138.51 93.6 11.06 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.11 1.364 . . . . 0.0 111.549 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -61.89 145.58 96.9 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.688 2.925 . . . . 0.0 112.445 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.2 86.75 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.792 1.187 . . . . 0.0 115.087 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.9 mt -105.94 160.33 15.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.895 1.278 . . . . 0.0 111.914 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.78 160.43 39.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.96 2.504 . . . . 0.0 110.558 172.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.2 115.49 15.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.442 0.697 . . . . 0.0 109.328 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.65 -38.47 4.69 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.086 1.327 . . . . 0.0 114.037 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -143.23 145.31 32.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.44 1.496 . . . . 0.0 111.731 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.69 121.09 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.783 1.233 . . . . 0.0 108.462 160.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -110.44 95.68 5.72 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.762 1.625 . . . . 0.0 109.842 174.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.11 -38.17 87.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.844 0.858 . . . . 0.0 111.522 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -66.01 -40.47 91.11 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.558 1.543 . . . . 0.0 112.988 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -88.94 -22.33 23.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.45 44.6 32.95 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.257 0.932 . . . . 0.0 113.043 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -134.92 142.2 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.732 1.213 . . . . 0.0 112.1 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.25 134.42 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.884 1.674 . . . . 0.0 108.1 170.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -121.27 132.24 54.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.021 0.928 . . . . 0.0 111.515 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.53 143.15 33.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.596 1.158 . . . . 0.0 111.72 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.42 157.52 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.129 1.772 . . . . 0.0 111.649 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -70.55 117.65 12.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.802 0.841 . . . . 0.0 112.574 -176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.38 135.81 40.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.934 0.894 . . . . 0.0 111.323 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -150.7 11.26 0.66 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -156.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -78.81 2.44 19.88 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 . . . . . 0 C--O 1.255 1.372 0 C-N-CA 125.483 1.513 . . . . 0.0 112.89 175.789 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 CA-C-O 119.573 -0.571 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.17 167.54 12.41 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.663 3.575 . . . . 0.0 114.216 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 86.16 -145.8 20.77 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.63 1.11 . . . . 0.0 113.671 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.4 m 59.47 20.66 9.07 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.572 1.949 . . . . 0.0 115.175 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.1 mtp -80.52 157.97 25.96 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.427 1.491 . . . . 0.0 111.775 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 57.4 m -120.66 28.8 7.76 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.864 1.266 . . . . 0.0 113.679 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.78 149.14 18.79 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.502 1.121 . . . . 0.0 112.788 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.2 -176.65 3.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.531 1.133 . . . . 0.0 112.101 -172.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -113.39 146.05 40.13 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.791 0.836 . . . . 0.0 111.835 159.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.49 141.83 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 109.402 167.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.89 139.9 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.182 1.393 . . . . 0.0 110.659 167.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -144.47 143.01 30.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.861 1.264 . . . . 0.0 111.83 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 92.1 m -97.09 132.8 42.52 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.945 1.298 . . . . 0.0 111.135 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -76.19 163.41 27.09 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.686 1.994 . . . . 0.0 113.109 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.36 67.85 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.628 1.171 . . . . 0.0 113.187 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -87.94 3.2 49.51 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.708 1.203 . . . . 0.0 113.717 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 2.16 87.87 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.587 1.565 . . . . 0.0 115.114 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.43 -178.24 39.27 Favored Glycine 0 CA--C 1.542 1.738 0 CA-C-N 118.503 1.151 . . . . 0.0 112.95 171.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -138.32 150.78 46.95 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.332 -1.099 . . . . 0.0 113.628 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.5 t -130.01 138.04 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.205 1.802 . . . . 0.0 109.566 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -123.36 146.68 47.76 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.37 1.468 . . . . 0.0 112.139 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.6 mt -130.15 120.56 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.357 1.463 . . . . 0.0 108.427 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.97 165.64 30.65 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.094 0.854 . . . . 0.0 114.354 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 52.05 42.48 30.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.968 1.707 . . . . 0.0 114.401 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.4 123.11 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.126 1.771 . . . . 0.0 110.854 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.52 -33.32 20.34 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.267 1.427 . . . . 0.0 112.693 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -162.81 149.5 12.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.218 1.007 . . . . 0.0 113.207 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.8 t -132.2 133.89 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.897 2.079 . . . . 0.0 110.298 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.62 137.94 51.8 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.962 1.705 . . . . 0.0 110.747 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.11 124.19 41.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.462 0.705 . . . . 0.0 110.431 161.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -89.49 179.16 6.12 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.673 1.589 . . . . 0.0 111.42 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.73 -13.26 50.94 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.787 -1.195 . . . . 0.0 115.505 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.86 24.73 0.26 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.188 1.375 . . . . 0.0 115.035 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.35 169.28 24.36 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.84 1.32 . . . . 0.0 112.313 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -121.15 144.47 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.519 1.127 . . . . 0.0 110.962 167.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -122.09 145.81 47.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.615 1.966 . . . . 0.0 110.964 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.81 131.05 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.713 1.605 . . . . 0.0 110.24 -173.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -123.57 132.51 53.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.214 1.006 . . . . 0.0 112.068 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -100.75 166.5 10.84 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.618 1.167 . . . . 0.0 114.116 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 tp -53.93 -26.07 23.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.29 2.236 . . . . 0.0 113.962 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -103.53 21.96 15.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.107 1.363 . . . . 0.0 113.216 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t0 60.88 23.55 13.58 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.67 1.988 . . . . 0.0 115.01 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.29 148.27 27.47 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.966 -1.084 . . . . 0.0 110.629 166.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -128.6 136.41 50.66 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.489 1.116 . . . . 0.0 111.253 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -123.9 146.36 48.49 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.921 1.688 . . . . 0.0 109.591 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.39 140.68 37.49 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.875 0.87 . . . . 0.0 112.645 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.56 107.95 7.17 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 125.095 1.358 . . . . 0.0 111.637 -169.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.8 146.45 48.19 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.851 2.367 . . . . 0.0 112.248 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.74 4.07 84.67 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.421 1.486 . . . . 0.0 115.378 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 mt -91.07 164.21 14.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.751 1.275 . . . . 0.0 112.438 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.12 156.59 45.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.238 2.215 . . . . 0.0 110.615 165.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -73.22 110.39 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.26 -40.82 4.43 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.76 1.171 . . . . 0.0 114.203 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -144.87 148.33 33.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.754 1.222 . . . . 0.0 111.559 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -134.56 133.73 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.529 1.532 . . . . 0.0 109.022 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -143.55 97.12 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.35 1.46 . . . . 0.0 109.75 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.0 mt -77.68 -18.58 56.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.191 1.396 . . . . 0.0 112.908 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -70.88 -45.2 64.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.253 1.421 . . . . 0.0 110.164 173.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -82.91 -23.81 33.37 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.819 1.247 . . . . 0.0 113.3 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.04 43.17 14.33 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.231 1.396 . . . . 0.0 113.238 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.28 139.08 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.509 1.523 . . . . 0.0 112.07 -173.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 66.6 mt -124.54 130.67 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.619 1.968 . . . . 0.0 109.094 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -112.33 126.31 55.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.305 1.042 . . . . 0.0 111.066 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.23 145.52 27.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.304 1.041 . . . . 0.0 111.371 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.54 155.62 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.865 1.666 . . . . 0.0 111.121 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -74.16 116.02 14.32 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.246 1.018 . . . . 0.0 110.408 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.85 110.77 6.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.091 0.957 . . . . 0.0 112.118 -168.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -137.09 41.0 2.48 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.856 1.663 . . . . 0.0 110.899 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -71.41 -11.87 61.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.201 1.0 . . . . 0.0 113.032 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 C--O 1.255 1.39 0 C-N-CA 124.789 1.236 . . . . 0.0 113.509 170.127 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.545 0.761 0 CA-C-O 121.281 0.562 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 163.95 31.43 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.813 1.645 . . . . 0.0 110.203 171.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.86 172.08 10.71 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.942 0.897 . . . . 0.0 112.558 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -100.86 152.06 20.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.526 0.73 . . . . 0.0 111.232 156.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.3 t -111.07 140.24 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.817 1.247 . . . . 0.0 109.321 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 p -128.76 138.1 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.959 1.303 . . . . 0.0 111.626 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 CA--C 1.546 0.808 0 C-N-CA 125.927 1.691 . . . . 0.0 111.249 -175.792 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.478 0.656 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -140.16 137.26 34.27 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.897 1.679 . . . . 0.0 110.674 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -127.72 125.35 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.449 1.499 . . . . 0.0 108.634 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.1 169.8 26.94 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.464 1.03 . . . . 0.0 114.301 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 54.41 35.05 22.2 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.698 1.599 . . . . 0.0 114.196 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.87 125.84 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.609 1.164 . . . . 0.0 110.91 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -90.92 -41.97 10.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.61 1.964 . . . . 0.0 111.256 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -154.98 157.02 37.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.752 1.221 . . . . 0.0 112.837 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.0 139.15 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.114 1.766 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -135.79 124.45 23.77 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.89 1.276 . . . . 0.0 110.985 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.44 109.71 20.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.347 1.059 . . . . 0.0 110.06 168.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -81.0 174.41 11.65 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.772 1.229 . . . . 0.0 111.177 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.01 42.28 0.6 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.645 1.593 . . . . 0.0 115.151 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.86 -1.01 0.09 OUTLIER Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.234 1.397 . . . . 0.0 116.443 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.07 155.55 29.46 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.599 1.56 . . . . 0.0 112.351 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.5 136.08 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.745 0.818 . . . . 0.0 110.97 166.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -113.21 143.58 44.14 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.718 2.007 . . . . 0.0 110.727 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.78 126.2 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 109.403 -174.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -121.43 132.73 54.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.215 1.006 . . . . 0.0 110.961 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.8 p -88.7 163.84 15.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 122.329 1.062 . . . . 0.0 113.419 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.1 tp -56.86 -24.9 54.91 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.411 2.284 . . . . 0.0 112.987 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.2 23.05 15.05 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.287 1.835 . . . . 0.0 113.196 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 62.02 28.72 17.4 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.704 2.001 . . . . 0.0 115.136 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.5 157.04 18.26 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.947 -1.095 . . . . 0.0 110.429 162.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -139.13 143.26 38.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.422 1.089 . . . . 0.0 112.383 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -129.78 149.18 51.63 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.877 2.071 . . . . 0.0 110.099 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 141.34 30.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.972 0.909 . . . . 0.0 112.659 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -141.29 105.05 6.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.316 1.446 . . . . 0.0 111.365 -168.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.99 147.09 60.63 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.665 2.243 . . . . 0.0 112.108 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 16.04 80.98 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 115.229 0.852 . . . . 0.0 115.229 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -107.28 162.76 13.61 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 112.447 171.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 160.46 39.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.914 2.086 . . . . 0.0 109.965 166.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.4 mt -77.56 122.28 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.005 -1.059 . . . . 0.0 109.709 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.21 -44.78 2.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.724 1.631 . . . . 0.0 114.822 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -142.27 151.02 41.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.052 1.341 . . . . 0.0 112.814 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -137.47 106.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 126.139 1.775 . . . . 0.0 108.569 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -113.87 87.54 2.64 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.116 1.366 . . . . 0.0 110.349 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.488 HD22 ' H ' ' A' ' 53' ' ' LEU . 2.1 mm? -63.87 -32.41 73.93 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.172 0.989 . . . . 0.0 111.941 -176.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 ttm105 -56.24 -35.47 67.42 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.0 1.32 . . . . 0.0 112.623 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -106.03 -18.18 14.11 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.587 1.555 . . . . 0.0 114.029 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.86 37.48 50.85 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.6 1.095 . . . . 0.0 113.546 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.8 t -124.55 133.0 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.329 1.052 . . . . 0.0 111.975 -172.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.3 mt -119.43 133.0 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 108.669 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -122.86 127.49 49.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.96 0.904 . . . . 0.0 111.244 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 mt -100.31 150.01 23.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.976 1.311 . . . . 0.0 112.199 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.99 157.82 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.444 1.898 . . . . 0.0 110.855 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 123.845 0.858 . . . . 0.0 111.727 -178.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.8 ptm . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -146.38 -178.55 6.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.716 0.807 . . . . 0.0 113.013 -169.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -122.03 142.5 50.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.753 1.221 . . . . 0.0 112.289 167.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -97.32 139.32 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.821 1.248 . . . . 0.0 109.894 174.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -126.35 141.29 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.163 1.385 . . . . 0.0 110.856 168.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.756 -176.648 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.24 139.49 35.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.721 1.209 . . . . 0.0 111.62 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.0 mt -130.51 119.14 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.58 1.952 . . . . 0.0 109.602 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.3 168.21 36.55 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.386 0.993 . . . . 0.0 114.531 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 56.94 34.57 25.08 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.027 1.731 . . . . 0.0 115.18 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.68 133.26 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.33 1.852 . . . . 0.0 111.299 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -107.44 -22.62 12.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.913 1.285 . . . . 0.0 113.863 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -155.22 151.66 28.39 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -134.35 137.67 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.823 2.049 . . . . 0.0 109.285 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -133.51 131.72 40.14 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.709 1.204 . . . . 0.0 111.453 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.78 110.39 21.73 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.785 0.834 . . . . 0.0 110.236 167.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.2 173.74 11.84 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.212 1.405 . . . . 0.0 111.285 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.84 43.43 0.78 Allowed Glycine 0 CA--C 1.544 1.858 0 C-N-CA 125.722 1.629 . . . . 0.0 115.413 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.19 -1.99 0.19 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.925 1.25 . . . . 0.0 115.887 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.76 162.16 40.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.39 1.595 . . . . 0.0 112.295 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.89 134.87 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.508 0.723 . . . . 0.0 110.933 164.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -106.41 146.25 30.72 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.062 2.145 . . . . 0.0 111.0 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -138.44 133.46 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.122 1.769 . . . . 0.0 109.574 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -131.18 132.05 44.46 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 0.82 . . . . 0.0 112.345 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.3 p -91.31 167.66 12.14 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -53.96 -30.74 48.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.354 2.262 . . . . 0.0 113.111 169.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -96.52 18.47 14.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.172 1.389 . . . . 0.0 113.122 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 60.8 25.48 15.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.649 1.98 . . . . 0.0 114.734 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -81.02 126.75 31.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.155 -0.966 . . . . 0.0 109.302 166.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -104.59 138.13 41.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.223 1.009 . . . . 0.0 111.207 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.29 146.59 50.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.975 1.71 . . . . 0.0 109.343 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.47 140.48 30.38 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.631 0.772 . . . . 0.0 112.303 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.6 109.91 8.73 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 125.222 1.409 . . . . 0.0 111.378 -170.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -71.04 146.69 52.93 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.976 2.451 . . . . 0.0 112.381 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.28 7.54 87.77 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.941 1.258 . . . . 0.0 115.319 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.86 164.99 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.084 1.442 . . . . 0.0 113.112 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.62 158.36 44.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.901 2.081 . . . . 0.0 110.566 166.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.4 mt -77.96 120.75 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.466 -0.771 . . . . 0.0 109.461 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.31 -51.14 1.62 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.934 1.254 . . . . 0.0 114.471 -172.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -145.92 148.23 32.58 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.755 1.222 . . . . 0.0 112.013 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.25 135.45 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.613 1.965 . . . . 0.0 109.128 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -139.46 111.26 7.27 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 110.316 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -84.94 -20.61 30.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.452 1.101 . . . . 0.0 112.485 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -69.11 -49.84 53.48 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.162 1.385 . . . . 0.0 110.425 171.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.8 m -82.64 -23.27 34.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.32 48.61 29.98 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.928 0.775 . . . . 0.0 112.339 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.0 t -133.98 140.44 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.716 1.207 . . . . 0.0 111.374 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.76 133.77 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.601 1.56 . . . . 0.0 109.479 167.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.51 126.91 55.47 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.676 1.19 . . . . 0.0 111.258 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.7 151.27 20.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.088 1.355 . . . . 0.0 111.831 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.43 158.48 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.671 1.588 . . . . 0.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.472 0.648 0 C-N-CA 123.902 0.881 . . . . 0.0 110.883 177.432 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.012 0.435 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.75 164.56 30.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.635 1.574 . . . . 0.0 110.574 170.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.78 -175.69 4.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.424 1.089 . . . . 0.0 111.6 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -120.19 145.38 47.04 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.803 0.841 . . . . 0.0 112.716 164.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -90.12 145.12 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.341 1.056 . . . . 0.0 110.369 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.19 137.8 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.102 1.361 . . . . 0.0 110.748 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 126.483 1.913 . . . . 0.0 110.464 178.046 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -136.71 146.2 45.58 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.911 1.285 . . . . 0.0 112.137 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.9 mt -130.46 120.55 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.86 1.664 . . . . 0.0 108.565 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 173.8 38.54 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.176 0.893 . . . . 0.0 114.452 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 55.8 35.84 26.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.052 1.741 . . . . 0.0 114.319 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.19 127.62 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.618 1.567 . . . . 0.0 111.975 -174.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.7 mt -90.21 -31.89 16.83 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.581 1.552 . . . . 0.0 112.974 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -155.78 151.89 27.79 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.7 137.82 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 127.322 2.249 . . . . 0.0 109.019 174.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -146.19 122.88 11.18 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.456 0.702 . . . . 0.0 112.81 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 139.04 36.51 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.56 0.695 . . . . 0.0 109.803 161.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -132.73 -169.49 2.26 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.566 1.946 . . . . 0.0 110.517 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.26 -12.71 25.52 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 117.184 1.633 . . . . 0.0 117.184 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.82 20.84 0.1 Allowed Glycine 0 CA--C 1.536 1.388 0 CA-C-N 119.107 1.453 . . . . 0.0 115.542 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.25 165.61 31.11 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.734 1.214 . . . . 0.0 112.021 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -107.84 140.24 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.396 0.678 . . . . 0.0 110.334 158.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -121.61 147.76 45.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.309 1.444 . . . . 0.0 111.371 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -138.51 126.81 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.835 1.654 . . . . 0.0 109.864 -169.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.8 m -121.72 133.08 54.94 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.76 0.824 . . . . 0.0 111.461 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.4 p -97.88 168.29 10.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.242 1.417 . . . . 0.0 114.207 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.78 -25.03 17.23 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.934 2.493 . . . . 0.0 114.334 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.3 17.73 23.49 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.344 1.458 . . . . 0.0 113.276 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 62.01 14.21 6.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.382 2.273 . . . . 0.0 114.983 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -76.32 145.63 39.41 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.758 -1.214 . . . . 0.0 110.391 165.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -132.39 143.99 50.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.313 1.045 . . . . 0.0 111.765 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -124.41 150.03 46.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.818 1.647 . . . . 0.0 110.236 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.68 35.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.737 1.215 . . . . 0.0 111.797 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -138.73 102.2 7.82 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 125.403 1.481 . . . . 0.0 110.844 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.66 144.37 65.79 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.678 2.252 . . . . 0.0 112.021 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.06 15.75 81.35 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.371 0.986 . . . . 0.0 115.34 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.88 164.06 12.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.989 1.394 . . . . 0.0 112.817 171.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.4 163.92 31.73 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.837 2.455 . . . . 0.0 109.957 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.6 mt -79.98 124.72 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.35 -40.34 3.25 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.768 1.175 . . . . 0.0 114.301 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.5 mtm-85 -142.96 151.8 41.3 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.187 0.995 . . . . 0.0 112.645 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -123.66 107.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 126.266 1.826 . . . . 0.0 107.307 164.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -104.44 61.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.724 2.01 . . . . 0.0 109.646 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.68 -21.9 66.85 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.993 1.317 . . . . 0.0 113.342 -172.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -54.64 -30.55 55.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.3 1.84 . . . . 0.0 112.691 167.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.6 m -115.3 -2.22 12.72 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.99 65.56 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.31 0.957 . . . . 0.0 113.996 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.37 141.98 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.903 1.351 . . . . 0.0 112.114 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.94 128.63 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.592 1.557 . . . . 0.0 109.502 171.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 m -110.11 129.56 55.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.594 1.157 . . . . 0.0 111.361 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.1 mt -99.99 153.81 18.89 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.423 1.089 . . . . 0.0 112.598 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.71 159.46 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.397 1.879 . . . . 0.0 111.084 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 124.493 1.117 . . . . 0.0 112.21 -178.595 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 120.803 0.335 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.52 178.05 7.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.533 1.533 . . . . 0.0 111.707 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -109.97 141.71 42.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.276 0.631 . . . . 0.0 111.952 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.57 146.4 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.188 0.995 . . . . 0.0 110.54 167.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.97 134.59 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.53 1.132 . . . . 0.0 111.566 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 126.487 1.915 . . . . 0.0 110.661 178.612 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -137.81 147.08 44.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.2 1.0 . . . . 0.0 111.838 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -129.93 121.69 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.484 1.514 . . . . 0.0 108.437 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 167.73 37.75 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.193 0.901 . . . . 0.0 114.507 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 55.27 35.87 25.83 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.963 1.705 . . . . 0.0 113.891 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.65 133.89 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.978 1.711 . . . . 0.0 111.276 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 41.2 mt -109.21 -22.07 12.27 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.308 1.443 . . . . 0.0 114.028 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -154.89 151.88 29.1 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.647 1.112 . . . . 0.0 113.763 168.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -137.29 130.49 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.641 1.976 . . . . 0.0 108.402 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -141.18 127.59 19.92 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.584 0.629 . . . . 0.0 111.717 -170.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.29 29.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.987 0.915 . . . . 0.0 111.644 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -134.18 -175.45 3.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.045 2.138 . . . . 0.0 110.304 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.42 77.0 0.19 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 113.73 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.35 14.94 24.64 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.671 1.605 . . . . 0.0 115.541 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.06 166.31 33.67 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.616 . . . . 0.0 113.557 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -122.29 136.95 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 125.643 1.577 . . . . 0.0 111.179 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -107.56 150.27 27.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.162 2.185 . . . . 0.0 111.248 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.45 133.09 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.496 1.918 . . . . 0.0 109.745 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -135.5 138.39 43.07 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.002 0.819 . . . . 0.0 112.87 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.5 p -98.86 170.47 8.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.43 -25.95 27.95 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.512 2.325 . . . . 0.0 113.934 169.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -104.06 17.26 24.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.384 1.474 . . . . 0.0 112.948 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 59.96 22.93 12.02 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.923 2.089 . . . . 0.0 114.846 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -74.16 136.41 42.86 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.63 166.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -115.95 139.38 50.3 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.985 0.914 . . . . 0.0 111.468 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -131.4 148.04 52.62 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.344 1.858 . . . . 0.0 109.666 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.95 143.85 32.14 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -138.89 113.93 8.46 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.226 1.411 . . . . 0.0 110.796 -171.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.95 149.15 41.54 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.869 2.379 . . . . 0.0 112.172 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.59 12.18 84.75 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.941 1.257 . . . . 0.0 115.416 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 60.7 mt -107.5 164.0 12.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.971 1.308 . . . . 0.0 112.97 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.74 163.29 33.0 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.693 2.397 . . . . 0.0 110.412 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.91 125.33 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.066 -1.021 . . . . 0.0 109.427 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.37 -65.03 0.9 Allowed Glycine 0 N--CA 1.47 0.932 0 C-N-CA 124.459 1.028 . . . . 0.0 113.616 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -143.13 150.59 39.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.396 1.079 . . . . 0.0 112.188 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.45 110.84 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.027 1.731 . . . . 0.0 109.559 -168.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.75 100.23 9.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.622 1.169 . . . . 0.0 110.374 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.433 ' H ' HD22 ' B' ' 53' ' ' LEU . 2.2 mm? -66.94 -35.35 79.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.624 -0.672 . . . . 0.0 110.432 169.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -58.83 -28.29 65.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.408 1.883 . . . . 0.0 114.302 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.7 m -121.17 -12.15 8.73 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.48 43.61 44.34 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.664 1.126 . . . . 0.0 113.647 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.44 137.27 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 118.59 1.195 . . . . 0.0 112.335 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.26 111.46 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.161 1.785 . . . . 0.0 108.568 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 t -99.34 127.12 45.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.823 1.249 . . . . 0.0 111.708 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.29 150.36 23.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.596 1.558 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.93 158.07 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.741 1.617 . . . . 0.0 111.806 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 123.446 0.698 . . . . 0.0 111.941 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.3 t . . . . . 0 CA--C 1.549 0.912 0 CA-C-O 121.087 0.47 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -147.71 160.81 42.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.929 1.692 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.9 168.35 18.02 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -106.82 117.4 33.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.099 1.759 . . . . 0.0 110.745 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.98 141.36 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.988 0.515 . . . . 0.0 109.96 168.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -140.76 139.87 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.871 1.269 . . . . 0.0 112.553 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.543 0.697 0 C-N-CA 127.517 2.327 . . . . 0.0 110.953 -179.466 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -142.05 152.88 43.77 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.079 0.952 . . . . 0.0 113.039 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -132.54 120.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.074 1.75 . . . . 0.0 108.333 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.94 175.53 41.76 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.632 1.111 . . . . 0.0 114.165 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.03 30.94 19.06 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.046 1.738 . . . . 0.0 114.162 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -76.14 125.33 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.462 1.105 . . . . 0.0 110.973 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -99.0 -20.41 16.76 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -152.74 153.14 32.61 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.669 1.122 . . . . 0.0 113.83 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.55 151.24 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.214 1.406 . . . . 0.0 111.199 168.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mtm105 -138.24 126.92 23.6 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.034 1.734 . . . . 0.0 110.488 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.4 106.62 18.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.46 1.104 . . . . 0.0 108.914 166.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -107.77 -170.04 1.62 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.348 1.859 . . . . 0.0 112.115 -169.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.33 75.6 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.732 1.634 . . . . 0.0 114.092 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.43 12.53 51.02 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.857 1.694 . . . . 0.0 115.469 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.05 153.27 25.71 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.056 1.428 . . . . 0.0 112.412 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.15 140.1 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.616 0.766 . . . . 0.0 110.554 164.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -122.22 149.26 43.92 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.352 1.461 . . . . 0.0 111.871 171.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.1 t -142.08 131.08 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.399 1.88 . . . . 0.0 109.265 -166.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.8 m -131.74 132.75 44.11 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.751 1.16 . . . . 0.0 112.711 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 p -84.48 172.18 11.91 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.26 -24.91 3.2 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.423 2.289 . . . . 0.0 114.04 165.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.57 16.94 25.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 112.786 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 61.11 18.81 9.39 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 115.25 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.64 119.02 21.31 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.024 -1.048 . . . . 0.0 109.997 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.33 140.34 31.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.8 0.84 . . . . 0.0 112.799 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -125.58 151.23 46.7 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.799 2.04 . . . . 0.0 109.907 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.46 140.73 39.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.959 0.904 . . . . 0.0 112.844 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -139.02 105.03 7.32 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 125.211 1.405 . . . . 0.0 111.066 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.2 149.39 57.69 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.129 2.553 . . . . 0.0 112.593 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.57 10.29 85.84 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.745 1.164 . . . . 0.0 115.519 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -105.31 163.06 12.9 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.933 1.366 . . . . 0.0 112.197 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.05 161.5 35.9 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.186 2.194 . . . . 0.0 110.003 165.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -76.68 118.66 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.94 -42.46 5.34 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.958 1.266 . . . . 0.0 113.358 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -143.16 155.21 44.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.983 . . . . 0.0 112.855 173.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.57 115.34 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.122 1.769 . . . . 0.0 107.089 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -131.11 97.45 4.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.476 1.111 . . . . 0.0 110.364 -169.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.16 -24.66 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.422 1.489 . . . . 0.0 112.066 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.07 -46.03 89.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.549 1.539 . . . . 0.0 110.567 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -77.44 -32.92 54.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.146 0.978 . . . . 0.0 112.804 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.67 29.04 40.6 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.307 1.432 . . . . 0.0 113.067 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.02 144.38 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.337 1.455 . . . . 0.0 111.922 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.06 110.47 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.905 1.682 . . . . 0.0 109.032 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -86.78 120.17 27.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.921 1.289 . . . . 0.0 110.493 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -93.81 153.2 18.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.425 0.69 . . . . 0.0 112.34 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.25 159.11 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.296 1.839 . . . . 0.0 111.2 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 124.393 1.077 . . . . 0.0 111.942 -178.63 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 ppp? . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.18 165.19 25.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.94 1.296 . . . . 0.0 114.143 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -124.21 126.73 46.61 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.202 1.801 . . . . 0.0 109.672 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t -95.81 142.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.029 1.332 . . . . 0.0 110.096 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.76 138.0 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.679 1.592 . . . . 0.0 110.878 167.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.468 0.46 0 C-N-CA 125.47 1.508 . . . . 0.0 111.439 177.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.435 0.16 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -137.33 145.19 43.09 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.924 1.29 . . . . 0.0 111.796 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -139.3 119.65 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.319 1.448 . . . . 0.0 109.582 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.06 -179.91 41.27 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.567 1.08 . . . . 0.0 113.562 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 59.57 28.57 18.01 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.7 t -81.26 135.12 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 111.174 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.3 mt -99.37 -34.9 10.11 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -150.82 158.48 44.2 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.6 t -132.7 139.92 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.976 2.111 . . . . 0.0 108.847 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -131.27 135.66 47.51 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.109 1.364 . . . . 0.0 111.855 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.44 145.79 24.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.826 1.25 . . . . 0.0 111.85 170.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -128.1 173.08 10.39 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.491 1.917 . . . . 0.0 110.288 168.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.58 40.02 0.5 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.209 1.862 . . . . 0.0 115.476 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.9 8.53 0.06 OUTLIER Glycine 0 CA--C 1.54 1.615 0 C-N-CA 126.111 1.815 . . . . 0.0 115.456 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.05 164.11 33.41 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.985 1.893 . . . . 0.0 113.136 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -119.94 145.9 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.773 1.229 . . . . 0.0 110.994 163.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -124.96 143.88 50.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.699 1.999 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.87 132.92 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.272 1.829 . . . . 0.0 110.006 -171.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 93.4 m -127.93 127.16 42.83 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.196 0.998 . . . . 0.0 112.24 -174.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -91.44 165.79 13.21 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.748 1.219 . . . . 0.0 113.906 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.39 -17.11 64.59 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -84.37 4.81 29.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.002 1.321 . . . . 0.0 113.2 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 60.14 27.28 16.73 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.574 1.95 . . . . 0.0 114.081 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -82.85 153.52 25.11 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.915 -1.115 . . . . 0.0 110.688 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -129.25 141.03 51.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.127 0.971 . . . . 0.0 112.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -128.14 149.06 50.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.318 1.847 . . . . 0.0 109.728 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.61 141.6 31.98 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.153 0.981 . . . . 0.0 113.035 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -140.66 100.27 6.76 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.541 . . . . 0.0 111.272 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.08 149.01 92.07 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.747 2.965 . . . . 0.0 113.374 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 3.91 90.55 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.688 1.613 . . . . 0.0 115.45 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.91 165.14 11.35 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.705 1.252 . . . . 0.0 113.627 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.63 157.38 45.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.327 2.251 . . . . 0.0 110.257 165.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 67.6 mt -71.48 114.69 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 -49.5 2.07 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.418 1.008 . . . . 0.0 113.71 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -148.92 150.49 33.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.659 1.184 . . . . 0.0 111.859 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -131.0 132.15 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.488 1.115 . . . . 0.0 110.329 166.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -108.78 99.86 9.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 108.871 163.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.89 -23.04 67.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.086 0.955 . . . . 0.0 112.654 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -55.22 -28.9 56.37 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.716 1.607 . . . . 0.0 113.462 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 t -133.62 10.07 3.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.625 1.97 . . . . 0.0 112.687 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.43 26.65 68.34 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 120.563 -1.336 . . . . 0.0 114.515 -177.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.8 t -81.69 118.72 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.534 1.667 . . . . 0.0 110.075 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -106.54 122.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.629 1.571 . . . . 0.0 109.095 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.5 t -106.47 122.97 47.36 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -95.73 147.49 23.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 111.45 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -130.08 159.37 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.108 1.763 . . . . 0.0 110.863 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.363 179.044 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 CA--C 1.539 0.523 0 CA-C-O 121.31 0.576 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -153.5 168.46 26.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.157 1.383 . . . . 0.0 111.676 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 173.43 11.54 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.252 1.421 . . . . 0.0 112.459 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.55 137.34 41.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.593 1.157 . . . . 0.0 110.87 162.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.74 140.46 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.278 1.031 . . . . 0.0 109.932 169.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -135.79 140.87 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.821 1.248 . . . . 0.0 110.809 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.468 0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 112.333 -174.25 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 121.018 0.437 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -140.21 134.8 31.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.792 1.637 . . . . 0.0 109.961 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.32 123.05 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.205 1.402 . . . . 0.0 109.57 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.17 169.18 34.53 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.169 0.89 . . . . 0.0 113.994 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 57.33 32.68 22.15 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.839 1.656 . . . . 0.0 114.775 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.62 125.35 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.918 1.687 . . . . 0.0 111.225 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.97 -27.29 17.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.317 1.047 . . . . 0.0 113.269 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -158.57 146.91 18.47 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.03 141.08 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.465 1.906 . . . . 0.0 110.779 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -138.89 127.33 23.0 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.636 1.174 . . . . 0.0 112.553 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.53 121.51 38.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.866 1.266 . . . . 0.0 110.593 173.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -106.15 12.39 30.26 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -165.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.33 29.78 63.63 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.273 0.939 . . . . 0.0 113.431 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.73 -19.34 0.05 OUTLIER Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.796 1.665 . . . . 0.0 113.883 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.31 41.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.18 1.792 . . . . 0.0 110.645 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.68 138.71 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.427 0.691 . . . . 0.0 110.894 164.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -112.11 145.53 39.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.857 2.063 . . . . 0.0 110.803 171.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -138.82 134.34 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.877 2.071 . . . . 0.0 109.205 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.4 m -133.96 129.48 36.31 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.824 1.193 . . . . 0.0 112.765 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -84.69 169.96 13.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.51 1.524 . . . . 0.0 113.401 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.24 -11.93 46.23 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.83 4.57 32.5 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.936 1.294 . . . . 0.0 112.934 170.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 60.58 18.53 8.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.126 2.17 . . . . 0.0 114.544 -172.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -79.86 116.66 20.14 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.387 -0.821 . . . . 0.0 110.643 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -86.6 141.06 29.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.493 0.717 . . . . 0.0 112.302 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -126.46 150.27 48.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.154 2.182 . . . . 0.0 109.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.52 142.34 29.11 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.36 0.664 . . . . 0.0 112.677 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -140.88 111.93 6.8 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.067 1.347 . . . . 0.0 111.093 -169.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -75.16 149.06 35.52 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.554 2.836 . . . . 0.0 112.93 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.18 8.74 87.37 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.994 1.283 . . . . 0.0 115.221 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -103.67 163.92 12.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.805 1.242 . . . . 0.0 113.17 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.71 161.45 37.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.234 2.213 . . . . 0.0 109.805 166.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.24 116.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.8 -41.87 4.28 Favored Glycine 0 N--CA 1.471 1.002 0 C-N-CA 124.606 1.098 . . . . 0.0 113.96 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -149.94 144.35 25.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.619 1.167 . . . . 0.0 111.522 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -128.17 121.57 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.015 1.726 . . . . 0.0 108.488 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -117.69 103.58 10.16 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.305 1.442 . . . . 0.0 109.557 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.43 -22.81 40.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.559 1.544 . . . . 0.0 112.438 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -54.23 7.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.334 1.054 . . . . 0.0 109.689 175.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -81.1 -17.85 48.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.77 46.01 25.61 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.68 1.133 . . . . 0.0 113.026 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.7 139.91 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.033 1.333 . . . . 0.0 111.29 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -126.57 128.16 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.974 1.71 . . . . 0.0 108.781 175.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.8 m -116.71 124.62 50.12 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.603 1.161 . . . . 0.0 110.68 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.04 150.32 21.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.968 0.907 . . . . 0.0 111.821 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.54 161.57 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.098 1.759 . . . . 0.0 111.209 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 . . . . . 0 N--CA 1.476 0.852 0 C-N-CA 123.638 0.775 . . . . 0.0 111.074 179.131 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.26 -179.31 3.74 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.272 . . . . 0.0 113.031 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -115.37 142.96 45.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.042 1.337 . . . . 0.0 111.186 159.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -101.22 145.15 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.467 1.507 . . . . 0.0 109.97 171.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.87 142.92 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.329 1.452 . . . . 0.0 111.468 170.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 CA--C 1.537 0.469 0 C-N-CA 125.682 1.593 . . . . 0.0 111.889 179.437 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -122.0 150.02 42.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.276 1.43 . . . . 0.0 111.327 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.7 mt -131.46 124.69 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.767 1.627 . . . . 0.0 108.314 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.78 170.1 27.65 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.709 1.147 . . . . 0.0 114.276 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 54.54 39.54 31.21 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.043 1.737 . . . . 0.0 114.053 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.4 119.91 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.581 1.552 . . . . 0.0 111.69 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.07 -34.1 26.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.826 1.251 . . . . 0.0 112.716 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -156.36 155.02 31.47 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -128.56 134.59 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 126.8 2.04 . . . . 0.0 108.862 174.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtm105 -134.78 122.72 22.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.537 1.535 . . . . 0.0 111.061 -168.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.67 32.9 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.182 0.993 . . . . 0.0 111.313 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -103.98 13.96 31.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 112.527 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.93 -32.55 1.96 Allowed Glycine 0 CA--C 1.54 1.654 0 C-N-CA 126.069 1.795 . . . . 0.0 115.017 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.26 6.07 11.96 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 126.38 1.943 . . . . 0.0 114.484 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.29 165.62 33.05 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.082 1.753 . . . . 0.0 111.746 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.0 t -127.17 144.32 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 124.575 1.15 . . . . 0.0 111.553 170.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -130.15 148.24 51.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.093 2.157 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.48 132.01 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.295 1.438 . . . . 0.0 110.271 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -115.44 127.57 55.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.466 1.107 . . . . 0.0 111.941 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -89.85 167.33 12.93 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.26 -28.98 30.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.954 2.102 . . . . 0.0 113.525 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.05 18.65 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.266 1.426 . . . . 0.0 113.781 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 62.28 13.9 6.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.772 2.029 . . . . 0.0 115.532 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -72.9 132.91 44.09 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -104.65 139.59 39.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.337 1.055 . . . . 0.0 111.828 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -117.37 150.86 38.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.751 1.621 . . . . 0.0 109.917 168.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.28 140.91 28.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.041 0.936 . . . . 0.0 112.484 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -142.89 100.6 5.44 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.928 1.291 . . . . 0.0 111.066 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.47 146.27 67.64 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.338 2.026 . . . . 0.0 111.469 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.91 10.84 85.2 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.741 1.162 . . . . 0.0 115.099 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -106.26 165.39 11.28 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.978 1.389 . . . . 0.0 112.673 172.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.03 159.5 42.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.203 2.201 . . . . 0.0 110.802 167.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 59.9 mt -77.08 119.13 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.971 0.908 . . . . 0.0 109.134 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.36 -43.27 2.21 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.388 0.994 . . . . 0.0 115.208 -174.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -142.19 145.61 34.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.003 1.321 . . . . 0.0 111.583 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.24 106.54 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.74 2.016 . . . . 0.0 109.07 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -100.84 77.73 1.89 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.588 1.555 . . . . 0.0 109.895 174.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -31.86 67.53 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.251 1.02 . . . . 0.0 111.741 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.9 -43.08 65.92 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.993 1.717 . . . . 0.0 112.59 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 -23.65 15.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.588 1.555 . . . . 0.0 113.323 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.12 43.12 14.18 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.625 1.107 . . . . 0.0 112.873 -170.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.48 136.76 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.601 1.16 . . . . 0.0 111.08 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -130.63 133.75 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.842 1.657 . . . . 0.0 109.346 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -120.78 127.38 51.9 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.495 1.118 . . . . 0.0 111.937 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.92 153.39 18.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.387 1.075 . . . . 0.0 112.396 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.78 160.18 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.136 1.774 . . . . 0.0 111.418 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 124.219 1.008 . . . . 0.0 111.833 179.603 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 120.881 0.372 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -153.89 138.43 16.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.329 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 175.55 6.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.854 1.262 . . . . 0.0 112.5 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -110.63 146.13 36.7 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.001 0.92 . . . . 0.0 111.264 153.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.43 141.66 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.141 1.376 . . . . 0.0 110.434 174.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -131.46 137.22 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.512 1.125 . . . . 0.0 112.002 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 126.002 1.721 . . . . 0.0 111.666 -175.736 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.474 0.734 0 CA-C-O 121.237 0.541 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -139.42 131.51 28.0 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.434 1.493 . . . . 0.0 110.068 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.96 120.46 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.969 1.307 . . . . 0.0 109.174 -172.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.73 170.27 32.04 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.25 0.929 . . . . 0.0 114.259 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 55.09 37.05 28.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.476 1.91 . . . . 0.0 114.409 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.61 122.48 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.34 -38.01 19.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.482 0.713 . . . . 0.0 112.426 172.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -147.78 154.14 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -138.88 139.28 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 126.507 1.923 . . . . 0.0 108.956 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -137.57 140.52 41.06 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.857 1.263 . . . . 0.0 110.879 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.64 122.31 41.69 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.99 0.916 . . . . 0.0 109.898 163.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -97.47 13.86 28.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.664 1.586 . . . . 0.0 113.661 -170.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.23 39.28 37.15 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.977 1.275 . . . . 0.0 113.772 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.29 -21.31 0.12 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.784 1.659 . . . . 0.0 114.022 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.61 157.6 35.57 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.213 2.205 . . . . 0.0 109.856 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -96.88 156.93 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 166.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -132.46 134.98 45.74 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.566 1.946 . . . . 0.0 109.851 170.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -128.74 132.23 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 127.47 2.308 . . . . 0.0 109.638 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.7 m -128.37 129.44 46.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.823 0.849 . . . . 0.0 112.522 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.9 p -87.88 169.83 11.69 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.389 1.476 . . . . 0.0 114.17 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.0 tp -52.56 -29.0 23.25 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.496 2.318 . . . . 0.0 114.221 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.39 17.6 23.72 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 113.268 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 61.2 13.93 5.16 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.919 2.088 . . . . 0.0 115.491 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.73 145.51 48.75 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.699 -1.251 . . . . 0.0 110.51 165.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -125.78 144.44 50.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.881 1.272 . . . . 0.0 112.583 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -131.31 149.42 52.57 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.019 1.728 . . . . 0.0 110.198 172.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.46 144.58 26.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.979 0.912 . . . . 0.0 112.534 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.71 113.48 4.66 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.494 -169.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -62.99 149.27 92.09 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.663 2.909 . . . . 0.0 113.645 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.44 19.24 79.64 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.504 0.962 . . . . 0.0 115.504 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.67 159.71 20.19 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.024 1.33 . . . . 0.0 112.788 174.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.7 160.13 40.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.686 1.994 . . . . 0.0 110.543 170.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -76.7 117.15 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.593 -0.692 . . . . 0.0 109.399 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.47 -42.38 3.96 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.35 0.976 . . . . 0.0 113.912 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -146.21 153.8 41.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.051 1.34 . . . . 0.0 112.096 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.1 136.0 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.638 1.575 . . . . 0.0 109.787 167.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -136.1 108.41 7.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.325 1.85 . . . . 0.0 108.696 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.89 -26.83 43.87 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.791 1.636 . . . . 0.0 111.926 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -65.09 -48.75 72.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.3 1.84 . . . . 0.0 111.085 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -89.7 -19.01 25.33 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.22 15.3 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.088 1.327 . . . . 0.0 113.514 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -131.25 140.7 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -122.61 127.5 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 126.347 1.859 . . . . 0.0 109.107 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.9 m -105.96 131.25 53.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.189 0.996 . . . . 0.0 110.812 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -99.98 154.42 18.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.678 0.791 . . . . 0.0 112.364 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 pp -134.96 159.63 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.037 1.735 . . . . 0.0 111.311 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 . . . . . 0 CA--C 1.539 0.55 0 C-N-CA 123.886 0.875 . . . . 0.0 112.219 -177.745 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.4 0.143 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.07 -178.74 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.376 1.471 . . . . 0.0 111.769 -173.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -118.14 147.12 43.63 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.105 0.962 . . . . 0.0 112.458 163.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.7 t -93.39 145.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.694 1.198 . . . . 0.0 110.193 171.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.7 136.49 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.102 1.361 . . . . 0.0 112.158 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.549 0.919 0 C-N-CA 126.574 1.949 . . . . 0.0 110.905 177.324 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.24 143.29 46.25 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.407 1.083 . . . . 0.0 111.18 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.49 115.86 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.961 1.305 . . . . 0.0 108.446 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.9 170.37 37.89 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.834 1.207 . . . . 0.0 114.612 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 57.85 33.07 22.79 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 114.478 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -77.46 128.1 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.184 1.794 . . . . 0.0 110.906 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 42.7 mt -91.15 -30.95 16.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.892 0.877 . . . . 0.0 113.194 172.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -156.31 152.76 28.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.49 139.11 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.828 2.051 . . . . 0.0 109.278 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -136.22 135.05 38.75 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.892 1.277 . . . . 0.0 110.947 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.64 114.7 26.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.376 1.47 . . . . 0.0 110.387 171.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -76.39 179.74 5.65 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.927 1.291 . . . . 0.0 110.396 164.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -11.43 48.81 Favored Glycine 0 CA--C 1.544 1.851 0 O-C-N 120.289 -1.507 . . . . 0.0 115.884 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.12 22.14 0.26 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.799 1.19 . . . . 0.0 115.276 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.48 30.33 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.128 1.464 . . . . 0.0 111.852 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -107.06 143.82 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.344 1.057 . . . . 0.0 111.066 166.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -123.31 140.92 52.53 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.651 1.98 . . . . 0.0 110.172 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 67.7 t -133.1 131.54 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.941 2.096 . . . . 0.0 109.453 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -129.7 129.4 44.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.795 0.838 . . . . 0.0 112.643 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 p -96.36 167.91 10.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.425 1.49 . . . . 0.0 112.531 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -66.85 -10.45 48.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.67 2.23 30.55 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.149 1.379 . . . . 0.0 113.231 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t0 60.79 22.46 12.46 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.067 2.147 . . . . 0.0 113.848 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -82.64 137.64 34.42 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.273 1.029 . . . . 0.0 110.504 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -109.12 137.85 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.611 1.164 . . . . 0.0 111.563 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -119.16 147.86 43.73 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.382 1.873 . . . . 0.0 109.714 167.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.0 144.86 31.86 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.44 108.29 6.67 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.898 1.279 . . . . 0.0 111.141 -170.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.22 148.78 56.47 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.933 2.422 . . . . 0.0 112.213 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.81 89.76 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.222 1.392 . . . . 0.0 114.985 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 mt -106.59 164.23 12.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.803 1.241 . . . . 0.0 112.95 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.16 166.04 25.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.32 2.248 . . . . 0.0 110.146 165.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mt -74.31 123.99 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.463 -0.773 . . . . 0.0 109.268 174.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.22 -38.17 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.108 0.861 . . . . 0.0 113.983 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -144.65 152.7 40.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.753 1.221 . . . . 0.0 112.698 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -133.36 133.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.579 1.952 . . . . 0.0 108.444 169.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -141.28 106.97 5.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.029 175.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.73 -14.96 50.35 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.588 1.155 . . . . 0.0 113.644 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -76.13 -40.47 52.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.0 0.92 . . . . 0.0 111.048 170.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -77.77 -34.07 52.49 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.76 171.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.92 36.84 20.93 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.502 1.525 . . . . 0.0 112.952 -173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.85 142.28 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.24 1.416 . . . . 0.0 112.262 -168.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.1 mt -125.11 117.38 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.064 1.746 . . . . 0.0 108.806 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.9 m -96.48 130.73 43.57 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.363 1.065 . . . . 0.0 111.32 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.22 155.63 16.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.746 0.818 . . . . 0.0 112.013 173.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.9 164.58 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.835 2.054 . . . . 0.0 111.369 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 124.543 1.137 . . . . 0.0 110.94 177.828 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.2 ptm -149.11 155.67 41.05 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.775 -1.203 . . . . 0.0 111.377 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.54 -179.39 6.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.683 1.193 . . . . 0.0 112.519 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -121.94 143.6 49.36 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.033 1.333 . . . . 0.0 111.473 166.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.0 t -96.72 144.78 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.772 1.229 . . . . 0.0 110.833 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.18 129.54 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.099 2.16 . . . . 0.0 109.909 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 124.826 1.251 . . . . 0.0 111.765 175.798 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -139.62 147.02 40.49 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 111.919 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -128.18 122.84 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.293 1.437 . . . . 0.0 108.701 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.58 167.48 33.81 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.542 1.068 . . . . 0.0 113.764 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 55.17 37.43 28.89 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.415 1.486 . . . . 0.0 114.397 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -74.87 130.39 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.873 1.669 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.9 mt -103.09 -24.8 13.59 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.755 1.222 . . . . 0.0 113.92 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.19 149.64 24.67 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.136 0.88 . . . . 0.0 113.234 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.08 142.71 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.912 2.085 . . . . 0.0 109.292 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -140.14 148.56 41.83 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 111.008 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.83 118.49 28.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.203 1.001 . . . . 0.0 111.289 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -88.21 171.44 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.895 1.678 . . . . 0.0 110.878 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.26 42.58 0.81 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.098 1.332 . . . . 0.0 114.838 174.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.17 -9.51 0.06 OUTLIER Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.104 1.335 . . . . 0.0 116.102 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.64 150.95 19.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.044 1.922 . . . . 0.0 112.921 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -97.15 145.83 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.876 0.87 . . . . 0.0 110.571 166.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -126.8 147.54 50.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.357 1.863 . . . . 0.0 111.006 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.05 133.15 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.853 1.661 . . . . 0.0 109.445 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.2 m -131.69 131.63 43.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 0.0 112.576 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -90.93 169.4 10.93 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.988 1.315 . . . . 0.0 113.924 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.51 -22.63 13.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.539 2.336 . . . . 0.0 113.48 168.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -106.37 18.17 22.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.222 1.409 . . . . 0.0 113.086 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 61.58 18.34 9.41 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.026 2.13 . . . . 0.0 115.009 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.11 132.73 41.45 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.974 -1.079 . . . . 0.0 109.732 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -113.46 141.97 46.47 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.936 0.894 . . . . 0.0 112.179 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -131.39 148.82 52.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.157 1.783 . . . . 0.0 110.143 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.7 142.26 36.9 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.028 0.931 . . . . 0.0 113.0 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.98 98.91 6.75 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.702 1.601 . . . . 0.0 112.169 -170.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.46 149.95 87.32 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.701 2.934 . . . . 0.0 114.435 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 6.87 86.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.827 1.203 . . . . 0.0 115.948 171.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 mt -103.6 166.92 10.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.084 1.354 . . . . 0.0 112.183 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.75 161.85 36.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.095 1.758 . . . . 0.0 110.389 160.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.35 110.8 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.74 -49.65 4.49 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.767 1.175 . . . . 0.0 113.168 -173.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -148.55 138.0 21.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.674 1.189 . . . . 0.0 111.692 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.11 136.71 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.42 1.488 . . . . 0.0 109.711 164.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -136.43 110.15 8.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.999 1.72 . . . . 0.0 109.466 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.99 -10.82 52.23 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.63 1.172 . . . . 0.0 113.513 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -44.7 31.44 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 167.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -76.12 -28.83 57.62 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.408 1.083 . . . . 0.0 113.203 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 37.44 49.56 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.447 1.022 . . . . 0.0 112.917 -172.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.79 140.19 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.963 1.305 . . . . 0.0 111.938 -170.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.58 106.06 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.858 1.663 . . . . 0.0 109.634 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 t -90.24 125.09 35.37 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 111.258 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -94.12 150.22 20.52 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.849 1.26 . . . . 0.0 111.011 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.89 156.42 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.472 1.509 . . . . 0.0 110.841 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 124.445 1.098 . . . . 0.0 110.571 -179.492 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.2 -178.59 4.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.735 1.214 . . . . 0.0 112.528 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -119.68 134.09 55.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.366 1.066 . . . . 0.0 111.61 165.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.09 138.83 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.919 1.288 . . . . 0.0 110.174 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.47 142.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.369 1.068 . . . . 0.0 112.342 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 127.13 2.172 . . . . 0.0 110.627 -179.506 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -140.68 140.25 34.92 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.739 -173.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.13 120.07 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.827 1.651 . . . . 0.0 109.081 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.74 170.39 40.06 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.897 0.761 . . . . 0.0 114.113 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 58.12 31.99 21.43 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.868 1.667 . . . . 0.0 114.193 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.98 124.67 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 111.663 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -95.3 -38.94 10.3 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.391 1.476 . . . . 0.0 111.643 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -148.23 154.66 40.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.296 1.038 . . . . 0.0 112.914 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -139.62 136.48 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.063 1.345 . . . . 0.0 109.177 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -118.78 146.34 44.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.025 1.73 . . . . 0.0 111.6 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.86 114.77 28.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.509 1.124 . . . . 0.0 109.714 161.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -82.48 -177.35 6.65 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 0.0 110.977 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -10.07 36.14 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.51 20.14 0.17 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 118.559 1.179 . . . . 0.0 115.67 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.39 155.71 27.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.115 1.457 . . . . 0.0 112.226 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -99.41 142.45 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.284 1.033 . . . . 0.0 110.511 165.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -125.57 137.12 53.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.245 1.818 . . . . 0.0 110.917 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.3 132.89 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.457 1.903 . . . . 0.0 109.458 -172.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -134.08 129.21 35.66 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.477 0.711 . . . . 0.0 112.184 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.0 p -81.32 164.55 22.1 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.949 1.299 . . . . 0.0 112.872 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -67.02 -14.86 63.31 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -83.96 3.93 32.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.544 1.537 . . . . 0.0 113.755 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t0 62.12 28.72 17.3 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.495 1.918 . . . . 0.0 114.667 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -85.3 141.5 30.02 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.27 -0.894 . . . . 0.0 110.332 166.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -123.21 142.32 51.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.777 1.231 . . . . 0.0 113.183 -173.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -133.09 149.76 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.352 1.861 . . . . 0.0 110.09 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.34 145.38 33.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.739 0.815 . . . . 0.0 113.134 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -142.61 105.76 5.43 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.347 1.459 . . . . 0.0 111.578 -170.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.7 148.63 59.41 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.275 2.65 . . . . 0.0 112.695 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 -4.71 56.19 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.34 1.448 . . . . 0.0 115.574 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.2 mt -88.19 164.83 15.46 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.903 1.351 . . . . 0.0 112.418 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 158.99 43.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.408 2.283 . . . . 0.0 109.925 164.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 54.4 mt -73.05 113.69 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.52 -37.93 6.82 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.532 1.063 . . . . 0.0 113.775 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -145.02 148.63 33.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.426 1.49 . . . . 0.0 112.287 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.98 105.25 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 127.035 2.134 . . . . 0.0 107.436 168.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -108.6 88.29 2.69 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.507 1.523 . . . . 0.0 110.797 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.56 ' H ' HD22 ' B' ' 53' ' ' LEU . 1.3 mm? -63.36 -34.16 77.12 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.622 0.769 . . . . 0.0 111.081 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.31 -36.78 66.57 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.181 1.792 . . . . 0.0 113.563 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 27.9 m -101.91 -18.61 15.62 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.94 33.52 62.67 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.079 0.847 . . . . 0.0 113.18 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -131.08 141.99 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.04 1.336 . . . . 0.0 111.577 -171.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.5 mt -124.35 135.47 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.68 1.592 . . . . 0.0 108.396 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -125.6 128.9 48.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.054 0.942 . . . . 0.0 111.11 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.74 153.51 18.67 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.864 0.866 . . . . 0.0 112.594 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -137.09 161.87 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.558 1.943 . . . . 0.0 110.542 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 . . . . . 0 N--CA 1.475 0.8 0 O-C-N 121.598 -0.689 . . . . 0.0 110.245 175.508 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.2 m . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.6 mtp -136.58 149.21 47.94 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.724 1.61 . . . . 0.0 110.801 171.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.77 173.54 13.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.772 1.229 . . . . 0.0 111.517 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -111.71 144.9 40.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.149 0.98 . . . . 0.0 111.742 163.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.64 142.74 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.329 1.052 . . . . 0.0 109.284 165.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.42 139.46 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.881 1.273 . . . . 0.0 110.842 170.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.652 0 C-N-CA 125.671 1.588 . . . . 0.0 111.564 -174.82 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -140.54 149.74 42.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.166 0.986 . . . . 0.0 112.478 172.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.94 120.38 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.793 1.637 . . . . 0.0 108.376 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 173.04 40.96 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.68 1.133 . . . . 0.0 113.969 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 57.99 34.03 23.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.592 1.557 . . . . 0.0 113.964 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -76.14 131.96 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.291 1.437 . . . . 0.0 110.655 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.1 mt -101.19 -21.12 15.01 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.209 1.004 . . . . 0.0 113.423 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -160.84 151.81 18.7 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.65 1.113 . . . . 0.0 113.619 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.22 133.26 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.542 1.937 . . . . 0.0 109.403 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -131.71 123.94 28.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 110.935 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.45 137.58 32.23 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.614 0.721 . . . . 0.0 111.37 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -112.95 11.45 19.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.481 1.913 . . . . 0.0 112.09 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.25 -60.54 2.3 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 126.656 2.074 . . . . 0.0 112.83 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -6.29 79.28 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.802 1.192 . . . . 0.0 114.527 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.09 166.19 26.14 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.902 1.681 . . . . 0.0 112.345 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.0 t -121.76 142.91 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.056 1.342 . . . . 0.0 110.851 162.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -120.86 147.46 45.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.888 2.075 . . . . 0.0 110.884 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -139.65 135.4 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.241 1.817 . . . . 0.0 109.369 -170.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.3 m -131.86 132.75 43.94 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.882 0.764 . . . . 0.0 112.238 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -91.18 167.17 12.53 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.93 -27.73 45.6 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.108 2.163 . . . . 0.0 113.359 168.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.77 19.63 16.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.54 1.536 . . . . 0.0 113.547 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.4 t0 61.64 25.0 15.0 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.922 2.089 . . . . 0.0 115.373 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -83.81 129.0 34.94 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.853 -1.154 . . . . 0.0 110.192 167.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -104.04 139.82 38.61 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.091 0.956 . . . . 0.0 111.281 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -129.47 148.26 51.36 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.075 1.75 . . . . 0.0 109.748 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.36 140.87 32.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.709 0.804 . . . . 0.0 111.763 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -139.18 112.31 8.0 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.039 1.336 . . . . 0.0 110.763 -171.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -73.22 149.5 45.85 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.949 2.433 . . . . 0.0 112.499 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.21 86.2 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.03 1.3 . . . . 0.0 115.057 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -105.72 163.12 12.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.666 1.233 . . . . 0.0 113.165 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.6 162.05 36.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.219 2.208 . . . . 0.0 110.328 167.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mt -78.65 122.19 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 120.892 -1.13 . . . . 0.0 110.05 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -110.54 -29.07 3.77 Favored Glycine 0 N--CA 1.477 1.393 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.57 144.67 31.42 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.754 1.222 . . . . 0.0 111.603 179.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.9 t -140.86 131.8 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.602 1.561 . . . . 0.0 108.909 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -147.76 105.04 3.65 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.743 1.217 . . . . 0.0 110.475 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.35 -26.81 38.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.446 1.498 . . . . 0.0 112.179 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -63.37 -47.13 83.36 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.518 1.527 . . . . 0.0 110.708 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 m -87.41 -20.19 27.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 174.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.56 43.69 18.42 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.282 0.944 . . . . 0.0 113.861 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.8 t -134.78 139.86 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.054 1.341 . . . . 0.0 111.588 -173.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.26 126.12 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.558 1.943 . . . . 0.0 108.88 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -113.49 129.25 56.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.301 1.04 . . . . 0.0 111.567 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -97.79 152.61 18.97 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.169 0.987 . . . . 0.0 112.15 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.24 158.61 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.874 2.07 . . . . 0.0 111.059 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 N--CA 1.47 0.532 0 C-N-CA 123.499 0.719 . . . . 0.0 111.008 178.91 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 121.208 0.528 . . . . 0.0 111.861 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.88 176.12 8.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.099 1.76 . . . . 0.0 113.113 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -128.22 144.66 51.14 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.903 1.681 . . . . 0.0 111.056 165.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -108.74 143.08 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.395 1.478 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -127.23 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.019 1.328 . . . . 0.0 111.715 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.413 1.885 . . . . 0.0 111.746 -176.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.94 0.4 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -134.93 143.55 46.97 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.119 1.368 . . . . 0.0 111.058 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -132.62 120.79 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.214 1.406 . . . . 0.0 108.98 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.7 30.35 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.883 1.23 . . . . 0.0 114.378 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 55.79 33.96 22.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.187 1.795 . . . . 0.0 114.33 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.84 130.99 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.964 1.706 . . . . 0.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -97.12 -27.77 14.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.75 152.27 29.68 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.8 t -137.87 135.48 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.526 1.93 . . . . 0.0 109.869 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -135.07 104.7 6.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.171 1.388 . . . . 0.0 110.623 -165.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 119.43 30.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.794 0.838 . . . . 0.0 112.015 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -102.67 5.05 38.83 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.257 1.823 . . . . 0.0 113.42 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.96 -45.83 1.71 Allowed Glycine 0 CA--C 1.538 1.497 0 C-N-CA 126.583 2.04 . . . . 0.0 114.57 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.25 -17.84 78.97 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.321 0.962 . . . . 0.0 114.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.24 165.81 26.3 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.914 1.686 . . . . 0.0 112.086 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -113.66 140.56 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.471 1.108 . . . . 0.0 110.581 160.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -116.29 143.82 45.04 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.498 1.919 . . . . 0.0 110.153 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -134.41 137.93 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 109.647 -171.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.9 m -133.57 129.41 36.98 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.015 0.825 . . . . 0.0 112.626 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -85.72 167.32 15.38 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.474 1.109 . . . . 0.0 113.505 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.02 -27.66 63.74 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.941 1.697 . . . . 0.0 112.807 170.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -88.22 11.9 15.23 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.814 1.645 . . . . 0.0 113.549 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 60.84 21.64 11.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.255 2.222 . . . . 0.0 114.912 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.69 127.02 31.99 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.807 -1.183 . . . . 0.0 110.138 169.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -99.51 139.49 35.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.891 0.876 . . . . 0.0 112.301 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -125.74 149.74 48.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.177 1.791 . . . . 0.0 109.786 171.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.85 140.63 29.9 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.55 0.74 . . . . 0.0 112.63 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.29 111.42 6.5 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.745 1.218 . . . . 0.0 111.106 -170.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.53 149.49 55.83 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.099 2.533 . . . . 0.0 112.898 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.93 7.07 86.39 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.589 1.566 . . . . 0.0 115.439 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.15 165.91 11.49 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.08 1.44 . . . . 0.0 113.853 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.28 166.29 25.94 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.488 2.315 . . . . 0.0 110.239 163.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -76.61 126.75 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.431 -0.793 . . . . 0.0 109.984 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.42 -53.23 1.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.392 1.472 . . . . 0.0 113.664 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -143.75 149.84 37.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.612 1.165 . . . . 0.0 111.94 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -137.35 104.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.318 1.447 . . . . 0.0 109.164 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -97.59 105.83 18.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.357 1.063 . . . . 0.0 110.073 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.429 ' H ' HD22 ' B' ' 53' ' ' LEU . 1.6 mm? -71.85 -26.24 62.29 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.812 -1.18 . . . . 0.0 110.715 167.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -57.9 -26.49 62.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.739 2.016 . . . . 0.0 113.809 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 97.4 p -135.75 -7.83 2.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.06 1.344 . . . . 0.0 114.573 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.94 7.94 86.61 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.26 1.41 . . . . 0.0 114.965 -174.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.27 129.38 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.045 1.922 . . . . 0.0 112.111 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.3 mt -116.22 133.64 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.338 1.855 . . . . 0.0 109.094 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 86.3 p -112.13 143.48 43.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -107.69 152.6 24.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.351 1.061 . . . . 0.0 111.557 170.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.99 158.55 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.187 1.795 . . . . 0.0 111.057 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 179.278 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.04 157.46 43.62 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.154 1.382 . . . . 0.0 110.774 171.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.69 -176.15 3.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 -171.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -126.57 141.42 51.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 111.715 165.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.3 144.2 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.181 0.992 . . . . 0.0 109.778 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -135.46 138.25 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.173 1.389 . . . . 0.0 112.386 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 126.915 2.086 . . . . 0.0 110.453 177.651 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -136.85 146.73 45.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.763 1.225 . . . . 0.0 111.811 -175.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.4 mt -131.12 122.25 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.213 1.405 . . . . 0.0 108.856 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.03 166.61 29.95 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.762 1.172 . . . . 0.0 114.049 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.8 35.96 22.83 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.442 1.897 . . . . 0.0 113.859 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.03 126.25 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.168 1.387 . . . . 0.0 110.746 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -107.38 -22.33 12.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.557 1.143 . . . . 0.0 112.821 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -154.21 148.23 25.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.521 1.128 . . . . 0.0 113.454 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.72 137.78 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.224 1.81 . . . . 0.0 109.976 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -138.21 138.84 38.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.656 1.182 . . . . 0.0 112.001 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.76 120.4 35.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 110.772 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -89.81 -179.31 5.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.764 1.625 . . . . 0.0 110.516 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 79.65 0.26 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.584 1.087 . . . . 0.0 112.913 172.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.13 25.89 30.16 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.107 1.337 . . . . 0.0 114.83 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.43 160.41 43.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.673 1.589 . . . . 0.0 111.665 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.47 144.0 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 124.387 1.075 . . . . 0.0 111.061 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -121.34 141.74 50.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.231 1.812 . . . . 0.0 111.138 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.6 t -135.33 132.21 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.951 2.1 . . . . 0.0 109.776 -173.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.0 m -134.81 133.22 39.57 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.244 0.545 . . . . 0.0 111.768 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.4 p -85.9 165.39 16.82 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 113.645 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.38 -20.02 26.76 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.452 1.901 . . . . 0.0 113.419 169.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -107.6 24.04 13.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.757 1.623 . . . . 0.0 112.955 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 63.21 17.23 10.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.897 2.079 . . . . 0.0 115.895 172.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.96 133.65 36.87 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.588 -1.32 . . . . 0.0 110.312 168.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -115.15 140.8 48.77 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.434 1.093 . . . . 0.0 112.168 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -132.43 147.51 52.38 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.64 1.976 . . . . 0.0 109.879 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.06 144.68 36.97 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.592 0.757 . . . . 0.0 112.499 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -140.31 92.68 9.28 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.775 1.63 . . . . 0.0 111.266 -171.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.04 146.29 94.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.106 2.538 . . . . 0.0 112.768 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.51 4.16 90.46 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.325 1.441 . . . . 0.0 114.705 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.37 166.42 10.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.633 1.217 . . . . 0.0 112.431 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 160.76 39.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.183 2.193 . . . . 0.0 110.331 165.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -72.42 115.45 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.36 -0.838 . . . . 0.0 108.744 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.0 -45.14 3.16 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.508 1.051 . . . . 0.0 113.894 -175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -142.9 149.87 39.04 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.657 1.183 . . . . 0.0 111.635 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.26 126.0 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 126.584 1.953 . . . . 0.0 108.314 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -136.94 100.7 4.36 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.219 1.008 . . . . 0.0 110.523 -173.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.648 1.179 . . . . 0.0 112.678 -174.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -72.2 -41.3 67.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.166 1.386 . . . . 0.0 111.842 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.3 t -80.41 -30.8 37.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.479 1.112 . . . . 0.0 112.485 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 31.72 42.93 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.152 1.358 . . . . 0.0 113.041 -171.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.4 t -129.96 143.43 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.865 1.266 . . . . 0.0 111.807 -168.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -122.32 119.75 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.209 1.803 . . . . 0.0 109.022 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -97.98 129.89 44.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.128 0.971 . . . . 0.0 110.792 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.0 mt -98.59 151.52 20.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.808 0.843 . . . . 0.0 111.694 172.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.7 159.12 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.751 1.62 . . . . 0.0 111.31 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.292 1.437 . . . . 0.0 111.388 -177.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.13 -179.73 6.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.158 1.383 . . . . 0.0 112.053 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -118.37 147.37 43.6 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.426 1.09 . . . . 0.0 112.091 161.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -97.17 143.38 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.052 1.341 . . . . 0.0 110.359 170.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.74 137.76 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.483 1.513 . . . . 0.0 111.398 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.541 0.621 0 C-N-CA 126.289 1.836 . . . . 0.0 110.985 177.76 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -134.91 144.52 47.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.757 1.223 . . . . 0.0 111.42 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -129.0 119.32 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.452 1.501 . . . . 0.0 108.07 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.64 171.31 37.77 Favored Glycine 0 N--CA 1.472 1.066 0 C-N-CA 124.361 0.981 . . . . 0.0 113.585 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 57.16 31.8 20.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.239 1.416 . . . . 0.0 114.195 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.36 127.17 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.164 1.786 . . . . 0.0 110.762 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tt -97.28 -35.3 10.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.365 1.466 . . . . 0.0 112.345 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -153.76 156.02 36.97 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -136.85 139.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.983 2.113 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -139.98 135.26 32.55 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.033 0.933 . . . . 0.0 111.963 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.81 139.74 30.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.523 1.129 . . . . 0.0 110.885 168.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -112.31 11.55 20.11 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.826 1.65 . . . . 0.0 113.526 -175.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.11 36.86 72.36 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.97 1.271 . . . . 0.0 113.117 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.95 -12.93 0.1 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.325 1.441 . . . . 0.0 114.043 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.68 162.06 41.75 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.657 1.983 . . . . 0.0 110.828 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -114.03 138.83 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.407 1.083 . . . . 0.0 110.942 167.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.71 144.02 42.93 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.14 2.176 . . . . 0.0 110.603 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 62.7 t -135.61 127.13 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.942 1.697 . . . . 0.0 109.313 -174.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.0 m -128.76 129.04 45.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.302 1.041 . . . . 0.0 111.481 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.1 p -86.21 164.06 17.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.845 1.258 . . . . 0.0 112.752 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -69.48 -10.7 59.2 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 171.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -85.94 7.21 25.15 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.611 1.564 . . . . 0.0 112.709 168.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.309 1.9 p30 58.46 13.85 2.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 129.139 2.976 . . . . 0.0 116.099 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -70.1 141.56 52.72 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.105 -0.997 . . . . 0.0 110.682 164.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -129.88 144.88 51.54 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.916 1.286 . . . . 0.0 112.077 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -132.77 150.33 52.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.742 2.017 . . . . 0.0 109.596 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.1 144.02 33.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.639 0.776 . . . . 0.0 112.678 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.01 110.07 8.47 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.223 1.409 . . . . 0.0 110.967 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -72.12 147.82 49.18 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.022 2.481 . . . . 0.0 112.111 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.85 3.48 90.49 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.842 1.21 . . . . 0.0 114.857 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -98.06 164.52 12.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.522 1.161 . . . . 0.0 113.042 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.69 159.75 41.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.416 2.286 . . . . 0.0 110.17 165.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.89 114.2 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.05 -42.68 3.47 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.252 0.93 . . . . 0.0 114.249 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -146.33 145.26 30.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.784 1.234 . . . . 0.0 112.116 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -136.07 114.18 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.59 1.556 . . . . 0.0 109.1 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.38 93.33 4.24 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.369 1.468 . . . . 0.0 109.775 -173.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.99 -34.61 73.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.623 -0.673 . . . . 0.0 112.423 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.44 -45.18 94.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.314 1.045 . . . . 0.0 112.324 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 m -81.96 -25.51 34.76 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.644 1.178 . . . . 0.0 113.635 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.57 39.8 55.36 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.388 0.994 . . . . 0.0 113.283 -171.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.13 138.43 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.471 1.108 . . . . 0.0 111.837 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.32 119.79 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.058 1.743 . . . . 0.0 108.736 174.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.7 m -102.19 127.28 49.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.294 1.037 . . . . 0.0 111.211 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 mt -97.43 151.37 20.04 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.853 0.861 . . . . 0.0 111.451 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.58 160.04 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.048 1.739 . . . . 0.0 110.986 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 . . . . . 0 N--CA 1.475 0.811 0 C-N-CA 123.823 0.849 . . . . 0.0 111.473 178.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 120.759 0.314 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 ptm -151.98 156.57 40.28 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.988 1.715 . . . . 0.0 111.197 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.94 -176.12 4.26 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 112.373 -172.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -124.47 148.36 47.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.351 1.06 . . . . 0.0 112.028 163.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.72 143.7 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.358 1.063 . . . . 0.0 110.427 171.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.63 138.27 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.479 1.511 . . . . 0.0 111.638 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 126.417 1.887 . . . . 0.0 111.219 177.235 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -133.42 143.84 49.14 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.429 1.092 . . . . 0.0 111.666 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -122.68 118.93 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.355 1.462 . . . . 0.0 108.471 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 167.54 36.3 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.566 1.079 . . . . 0.0 114.391 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.26 34.42 20.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.087 1.755 . . . . 0.0 114.498 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.75 126.02 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 110.202 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 tp -107.16 -27.33 10.64 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.647 1.179 . . . . 0.0 112.767 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -155.1 158.27 38.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.332 1.053 . . . . 0.0 112.806 167.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.38 142.4 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.481 1.913 . . . . 0.0 110.341 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -124.15 152.48 42.77 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.72 2.008 . . . . 0.0 112.156 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.61 139.58 50.35 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.124 1.37 . . . . 0.0 110.659 162.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -113.65 12.9 18.55 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.657 1.583 . . . . 0.0 112.293 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.64 -34.43 2.94 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 126.482 1.992 . . . . 0.0 115.054 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.1 -0.96 22.45 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.473 1.511 . . . . 0.0 114.664 171.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.7 168.86 26.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.754 1.622 . . . . 0.0 111.674 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m -123.28 159.39 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.028 0.931 . . . . 0.0 112.52 162.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -135.11 134.19 40.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.564 1.946 . . . . 0.0 110.234 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -122.86 130.13 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.609 1.964 . . . . 0.0 109.862 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -126.0 128.5 47.56 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.912 0.885 . . . . 0.0 111.335 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -87.39 165.67 15.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 122.171 0.986 . . . . 0.0 113.076 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.23 -20.78 44.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.77 2.028 . . . . 0.0 113.506 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.34 22.11 16.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.08 1.752 . . . . 0.0 113.214 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.82 19.79 11.73 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.999 2.12 . . . . 0.0 115.549 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.88 141.01 40.76 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.019 -1.051 . . . . 0.0 110.193 166.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -124.4 135.78 53.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.517 1.127 . . . . 0.0 111.294 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -129.15 142.89 50.74 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.817 1.647 . . . . 0.0 109.812 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.17 44.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.793 0.837 . . . . 0.0 112.525 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.85 93.25 8.44 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.41 1.084 . . . . 0.0 111.244 -173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.03 143.16 94.71 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.351 2.701 . . . . 0.0 111.894 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.1 1.58 90.04 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.44 164.09 11.94 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.37 1.085 . . . . 0.0 111.646 167.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.07 157.67 45.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.748 2.019 . . . . 0.0 111.152 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.73 107.35 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.45 -42.93 5.05 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.08 0.848 . . . . 0.0 113.763 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -146.87 149.65 33.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.52 1.528 . . . . 0.0 111.45 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -132.78 128.68 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.712 2.005 . . . . 0.0 108.425 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -129.69 110.08 11.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.787 1.235 . . . . 0.0 109.912 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.68 -24.04 45.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.244 1.418 . . . . 0.0 112.951 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -79.89 -40.97 27.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.674 1.19 . . . . 0.0 111.455 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -79.92 -26.07 40.28 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.23 43.86 30.68 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.127 0.87 . . . . 0.0 112.96 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.6 t -132.81 138.87 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.11 1.364 . . . . 0.0 111.187 -171.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.7 mt -123.41 117.08 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.861 1.665 . . . . 0.0 108.841 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.5 m -99.84 119.66 38.53 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.71 1.204 . . . . 0.0 110.669 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.66 146.73 24.91 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.66 0.784 . . . . 0.0 111.353 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.83 159.06 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.905 1.682 . . . . 0.0 111.233 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 CA--C 1.535 0.387 0 C-N-CA 124.022 0.929 . . . . 0.0 112.17 179.04 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 121.433 0.635 . . . . 0.0 111.782 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.03 174.1 7.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.198 0.999 . . . . 0.0 113.446 -168.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.47 142.68 35.74 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.534 0.734 . . . . 0.0 110.705 152.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.14 141.99 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 109.741 165.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.47 140.18 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.303 1.441 . . . . 0.0 111.675 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.621 . . . . 0.0 111.703 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -138.8 152.54 47.98 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.933 1.293 . . . . 0.0 113.231 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 39.1 mt -130.68 127.19 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.087 1.755 . . . . 0.0 108.45 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.02 171.73 27.42 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.678 1.132 . . . . 0.0 113.676 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.54 37.37 28.79 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.703 1.601 . . . . 0.0 114.461 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.41 121.94 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.701 1.6 . . . . 0.0 112.0 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -87.84 -32.4 19.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 112.994 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.85 154.06 33.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -134.74 141.99 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.795 2.038 . . . . 0.0 109.503 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -135.12 132.3 37.93 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.354 1.062 . . . . 0.0 111.084 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.05 110.33 22.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 110.043 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 172.61 8.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.616 1.566 . . . . 0.0 110.968 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.26 47.03 1.32 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.134 1.349 . . . . 0.0 114.75 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.01 -3.09 0.13 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.011 1.291 . . . . 0.0 115.886 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 160.7 25.45 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.546 1.673 . . . . 0.0 112.173 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.95 144.63 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.731 0.812 . . . . 0.0 110.751 163.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -122.93 146.96 47.14 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.433 1.893 . . . . 0.0 110.694 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.06 131.85 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.014 1.725 . . . . 0.0 109.815 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.9 m -125.99 129.65 49.63 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.983 0.913 . . . . 0.0 112.096 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.9 p -90.73 169.0 11.33 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.03 1.332 . . . . 0.0 114.217 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -56.13 -21.9 25.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.407 2.283 . . . . 0.0 114.283 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -106.9 19.18 20.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.885 1.674 . . . . 0.0 113.498 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 61.54 13.58 5.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.205 2.202 . . . . 0.0 115.675 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -76.12 142.71 41.58 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.892 -1.13 . . . . 0.0 110.716 167.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -122.1 143.01 49.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.307 1.443 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -129.95 151.29 50.66 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.375 1.87 . . . . 0.0 109.938 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.45 148.22 35.78 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.18 102.95 7.35 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 125.724 1.61 . . . . 0.0 111.007 -170.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.23 145.21 59.46 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.135 2.557 . . . . 0.0 112.383 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.64 3.18 78.23 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.887 1.232 . . . . 0.0 115.731 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.33 163.56 13.02 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.771 1.285 . . . . 0.0 112.505 171.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.89 160.6 38.86 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.613 2.365 . . . . 0.0 109.704 168.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.25 119.72 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.96 -41.74 3.23 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.545 1.069 . . . . 0.0 114.857 -175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -150.12 145.6 26.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.444 1.098 . . . . 0.0 112.083 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -133.33 114.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 126.214 1.806 . . . . 0.0 108.883 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -109.59 98.28 7.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.961 1.305 . . . . 0.0 110.792 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.64 -30.92 69.73 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.529 -0.732 . . . . 0.0 111.863 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -64.43 -18.54 64.82 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -122.28 -18.28 6.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.624 1.17 . . . . 0.0 113.935 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.56 42.18 73.45 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.837 0.732 . . . . 0.0 112.775 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -125.47 134.26 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.498 1.119 . . . . 0.0 111.027 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.35 117.31 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.289 1.436 . . . . 0.0 109.063 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.3 t -103.4 129.89 50.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.725 1.21 . . . . 0.0 111.384 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.7 mt -99.34 150.49 22.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.18 0.992 . . . . 0.0 112.206 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.4 161.45 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.311 1.844 . . . . 0.0 111.52 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 111.607 179.339 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.9 t . . . . . 0 CA--C 1.546 0.82 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptm -148.18 150.58 34.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.767 1.627 . . . . 0.0 110.754 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.43 -179.15 5.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.5 1.52 . . . . 0.0 112.527 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -109.06 143.91 37.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.655 0.782 . . . . 0.0 111.732 161.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -91.12 143.09 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.359 1.464 . . . . 0.0 110.115 169.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.75 137.6 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.714 1.206 . . . . 0.0 111.024 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 126.029 1.732 . . . . 0.0 111.59 -176.47 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.9 t . . . . . 0 N--CA 1.475 0.787 0 CA-C-O 121.429 0.633 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -137.51 135.14 36.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.829 1.652 . . . . 0.0 110.378 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -131.05 117.78 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.19 1.396 . . . . 0.0 109.093 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.03 167.5 39.96 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.373 0.987 . . . . 0.0 114.22 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 55.93 35.1 24.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.067 1.747 . . . . 0.0 114.863 171.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.2 129.92 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.581 1.552 . . . . 0.0 111.11 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.7 mt -97.52 -30.23 13.0 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.1 0.96 . . . . 0.0 113.308 174.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -157.31 150.51 23.73 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -139.17 139.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.973 1.709 . . . . 0.0 110.077 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -125.35 147.9 48.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.188 1.795 . . . . 0.0 110.146 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.58 105.5 12.52 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.219 1.408 . . . . 0.0 108.854 165.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -72.91 176.8 5.36 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.911 1.284 . . . . 0.0 110.873 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 43.06 0.84 Allowed Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.83 1.205 . . . . 0.0 115.675 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.26 -6.5 0.13 Allowed Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.412 1.325 . . . . 0.0 116.412 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 152.36 22.38 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.394 1.597 . . . . 0.0 111.942 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.9 m -93.77 157.49 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 121.704 -0.623 . . . . 0.0 112.382 167.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -134.18 135.55 43.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.151 2.18 . . . . 0.0 110.084 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -129.1 134.8 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.942 2.097 . . . . 0.0 109.788 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -130.56 130.68 44.39 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.715 0.806 . . . . 0.0 112.557 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.3 p -91.82 166.94 12.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.94 -28.14 55.56 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.777 2.031 . . . . 0.0 113.32 170.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -100.09 18.29 18.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.665 1.586 . . . . 0.0 113.101 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.33 28.57 18.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.888 2.075 . . . . 0.0 114.7 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -79.57 140.75 37.08 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.128 -0.982 . . . . 0.0 110.197 164.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -116.08 136.34 53.11 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.848 1.259 . . . . 0.0 111.398 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -130.49 141.87 50.49 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.605 1.562 . . . . 0.0 109.607 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.09 143.62 30.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.312 0.645 . . . . 0.0 112.666 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -144.55 114.02 5.15 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.351 1.06 . . . . 0.0 111.394 -169.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.86 151.52 84.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.007 2.471 . . . . 0.0 113.876 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.97 12.27 83.41 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.859 1.218 . . . . 0.0 115.784 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 161.42 15.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.464 1.132 . . . . 0.0 113.001 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 164.25 30.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.054 2.142 . . . . 0.0 110.71 166.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.0 mt -74.33 121.83 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.13 -0.982 . . . . 0.0 109.503 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.79 -38.4 3.9 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.777 1.18 . . . . 0.0 114.227 -177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.97 148.37 32.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.149 1.38 . . . . 0.0 111.916 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.59 119.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.031 1.732 . . . . 0.0 107.659 167.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -129.02 100.17 5.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.163 . . . . 0.0 110.196 -174.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.6 mt -85.96 -13.48 47.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.723 1.209 . . . . 0.0 113.438 -174.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -70.69 -46.86 62.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.729 1.212 . . . . 0.0 110.96 167.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.54 -32.19 47.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.826 1.25 . . . . 0.0 113.626 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.74 41.78 10.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.718 1.151 . . . . 0.0 112.914 -172.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.1 141.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.165 1.386 . . . . 0.0 111.538 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -119.13 122.4 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 126.152 1.781 . . . . 0.0 108.173 171.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.5 m -109.0 128.07 54.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.04 0.936 . . . . 0.0 110.899 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.4 mt -106.85 148.27 28.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.665 1.186 . . . . 0.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -136.24 160.25 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 126.248 1.819 . . . . 0.0 111.097 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 123.492 0.717 . . . . 0.0 112.401 179.738 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.698 0.285 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.12 178.72 6.86 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.228 1.411 . . . . 0.0 112.367 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -110.08 137.32 48.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 111.582 164.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 t -89.94 143.53 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.683 1.193 . . . . 0.0 110.095 172.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -127.72 136.3 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.435 1.494 . . . . 0.0 110.205 166.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.467 0.418 0 C-N-CA 125.104 1.362 . . . . 0.0 111.76 -174.441 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.474 0.178 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -127.42 148.16 50.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.018 1.327 . . . . 0.0 111.96 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.3 mt -135.47 120.68 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.183 1.393 . . . . 0.0 109.107 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.31 168.83 37.15 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.53 1.062 . . . . 0.0 114.304 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 56.96 29.5 16.45 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.447 1.499 . . . . 0.0 114.955 173.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 99.7 t -75.04 124.71 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.88 1.272 . . . . 0.0 110.828 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 30.0 tp -94.49 -34.85 12.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.528 1.531 . . . . 0.0 112.426 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -156.47 154.04 29.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 122.101 0.953 . . . . 0.0 112.926 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -138.32 138.42 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.607 1.963 . . . . 0.0 109.503 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -136.77 120.59 17.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.14 20.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.644 1.178 . . . . 0.0 110.478 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -87.85 -176.54 5.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.741 1.616 . . . . 0.0 110.9 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.15 52.17 Favored Glycine 0 CA--C 1.542 1.776 0 O-C-N 120.609 -1.307 . . . . 0.0 116.203 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.58 18.09 0.21 Allowed Glycine 0 CA--C 1.539 1.56 0 CA-C-N 118.43 1.115 . . . . 0.0 115.166 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 158.53 33.49 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 0.0 111.911 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.9 138.68 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.554 0.742 . . . . 0.0 111.362 163.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -106.83 140.0 40.36 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.747 2.019 . . . . 0.0 110.171 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.3 t -131.42 122.15 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 126.498 1.919 . . . . 0.0 109.495 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.4 m -126.58 131.73 51.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.977 0.911 . . . . 0.0 112.172 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.9 p -91.85 161.29 14.91 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.288 1.435 . . . . 0.0 112.348 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -72.3 -4.09 27.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.35 7.48 38.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.231 1.412 . . . . 0.0 113.016 168.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 62.49 18.33 10.31 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.148 2.179 . . . . 0.0 114.463 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.6 138.13 37.34 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.874 -1.141 . . . . 0.0 110.152 163.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -132.37 143.42 49.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.727 1.211 . . . . 0.0 111.763 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -127.08 149.39 49.95 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.407 1.883 . . . . 0.0 109.97 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.85 142.03 42.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.987 0.915 . . . . 0.0 112.502 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -138.95 94.69 9.89 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.155 1.382 . . . . 0.0 111.165 -169.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -59.15 144.55 99.34 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.243 2.629 . . . . 0.0 113.01 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.84 12.99 82.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.618 1.104 . . . . 0.0 115.251 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -110.02 164.4 12.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.723 1.209 . . . . 0.0 112.837 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 162.54 35.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.056 2.142 . . . . 0.0 110.461 165.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.15 123.58 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.862 -1.149 . . . . 0.0 109.087 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.85 -35.44 4.01 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.433 1.016 . . . . 0.0 114.397 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -148.73 156.81 42.88 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.502 1.151 . . . . 0.0 112.163 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.39 124.27 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.179 164.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -120.51 86.96 2.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.273 1.829 . . . . 0.0 109.462 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -69.2 -23.16 63.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.756 0.822 . . . . 0.0 112.206 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -58.83 -28.55 66.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.041 1.736 . . . . 0.0 113.03 167.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -108.84 -24.29 11.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.023 1.729 . . . . 0.0 113.921 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.96 38.22 20.03 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.754 1.168 . . . . 0.0 113.208 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.58 140.83 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.789 1.236 . . . . 0.0 112.268 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.8 mt -123.39 130.5 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.533 1.933 . . . . 0.0 108.929 172.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.0 m -111.28 128.9 56.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.075 0.95 . . . . 0.0 111.015 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.86 152.31 19.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.841 0.856 . . . . 0.0 111.789 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -130.5 162.51 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.456 1.902 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--O 1.24 0.563 0 C-N-CA 123.877 0.871 . . . . 0.0 110.98 179.556 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 CA--C 1.544 0.743 0 CA-C-O 121.58 0.705 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.46 165.73 26.6 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.309 1.444 . . . . 0.0 110.058 163.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.06 168.46 19.69 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -91.56 139.17 30.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.912 1.685 . . . . 0.0 109.649 163.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.89 141.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.104 1.362 . . . . 0.0 109.765 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.64 143.78 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.239 1.016 . . . . 0.0 112.745 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 127.162 2.185 . . . . 0.0 110.776 179.497 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.41 152.83 44.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.024 0.93 . . . . 0.0 113.187 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.3 mt -131.74 124.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 0.0 108.527 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.49 170.9 35.9 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.298 0.951 . . . . 0.0 113.51 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.05 31.67 20.99 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.2 t -75.13 131.53 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.948 1.699 . . . . 0.0 111.98 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.1 mt -99.45 -23.23 15.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.6 1.16 . . . . 0.0 114.024 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -152.59 146.81 25.51 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.59 130.13 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.426 1.891 . . . . 0.0 109.008 171.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -139.05 130.48 27.06 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.157 0.983 . . . . 0.0 111.656 -174.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.1 147.84 31.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.677 0.791 . . . . 0.0 110.974 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -130.06 -175.7 3.7 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.37 2.268 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.58 75.86 0.21 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.762 1.172 . . . . 0.0 113.215 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.86 24.63 27.12 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.535 1.541 . . . . 0.0 115.27 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.33 169.12 24.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.902 1.281 . . . . 0.0 112.862 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -124.19 141.93 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 125.009 1.324 . . . . 0.0 111.04 167.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -114.73 146.84 40.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.089 2.156 . . . . 0.0 111.013 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.4 t -139.95 136.72 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 126.611 1.964 . . . . 0.0 109.472 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.6 m -137.25 134.06 35.76 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.883 1.219 . . . . 0.0 112.998 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -87.79 169.68 11.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.918 1.687 . . . . 0.0 113.505 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.75 -12.15 57.54 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 171.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -83.33 3.16 32.75 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.909 1.283 . . . . 0.0 113.014 169.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 63.14 17.43 10.16 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.218 2.207 . . . . 0.0 114.415 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -79.94 116.96 20.38 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.707 -1.245 . . . . 0.0 110.305 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -91.59 143.08 26.94 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.367 1.067 . . . . 0.0 112.146 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -133.43 148.24 51.76 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.902 2.081 . . . . 0.0 109.566 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.51 142.52 31.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.517 0.727 . . . . 0.0 112.472 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -138.53 109.82 8.07 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.166 1.386 . . . . 0.0 111.47 -170.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.22 149.51 45.84 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.013 2.475 . . . . 0.0 112.216 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.65 11.39 84.07 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 124.85 1.214 . . . . 0.0 115.302 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.41 164.22 12.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.938 1.295 . . . . 0.0 112.652 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.25 161.84 35.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.32 2.248 . . . . 0.0 110.099 165.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -73.97 114.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.321 -0.862 . . . . 0.0 108.969 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.51 -55.14 2.1 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.171 0.891 . . . . 0.0 113.178 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -143.94 147.22 33.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.264 1.025 . . . . 0.0 111.683 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.16 126.42 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.688 1.595 . . . . 0.0 108.836 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -135.96 103.74 5.47 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.148 0.979 . . . . 0.0 110.256 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.28 -30.09 54.14 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.214 1.406 . . . . 0.0 112.246 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -65.57 -41.58 92.74 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 0.0 111.39 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 t -80.26 -32.85 38.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.759 1.223 . . . . 0.0 113.177 172.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.28 32.24 29.01 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.529 1.538 . . . . 0.0 114.003 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.07 142.31 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.89 1.276 . . . . 0.0 111.834 -171.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -126.13 132.05 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 127.368 2.267 . . . . 0.0 108.839 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -118.61 123.7 45.64 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.498 1.119 . . . . 0.0 111.274 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.64 152.62 20.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.419 1.088 . . . . 0.0 111.705 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.52 159.03 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.751 1.621 . . . . 0.0 111.809 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.473 0.698 0 C-N-CA 123.727 0.811 . . . . 0.0 111.661 -178.094 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.34 172.21 11.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.921 1.289 . . . . 0.0 112.896 -171.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -106.64 134.24 50.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.519 1.128 . . . . 0.0 111.06 166.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -99.15 139.12 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.346 1.458 . . . . 0.0 109.931 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.88 139.38 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 111.813 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.471 0.601 0 C-N-CA 126.532 1.933 . . . . 0.0 111.019 179.497 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -129.3 135.3 48.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.101 1.361 . . . . 0.0 110.444 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.28 117.77 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.74 1.216 . . . . 0.0 109.071 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.14 165.83 34.7 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.21 0.909 . . . . 0.0 113.77 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 55.44 34.12 22.34 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.756 1.622 . . . . 0.0 114.291 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.96 125.59 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.121 1.369 . . . . 0.0 111.019 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.4 mt -85.73 -31.53 22.37 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.394 1.077 . . . . 0.0 112.767 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -162.19 149.86 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 112.947 -172.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.49 152.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.827 1.651 . . . . 0.0 111.564 172.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -139.27 127.19 22.21 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.883 1.273 . . . . 0.0 111.388 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.89 138.11 34.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.56 1.144 . . . . 0.0 111.225 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -131.09 179.29 6.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.471 1.908 . . . . 0.0 110.861 -177.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.76 28.18 0.23 Allowed Glycine 0 CA--C 1.541 1.701 0 C-N-CA 126.026 1.774 . . . . 0.0 117.137 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.61 -0.1 0.04 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.402 1.477 . . . . 0.0 115.896 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.69 164.51 33.91 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.144 1.972 . . . . 0.0 112.997 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.12 141.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.422 1.489 . . . . 0.0 111.059 164.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -114.5 147.86 38.74 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.741 2.016 . . . . 0.0 111.135 171.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -141.58 136.8 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.454 1.901 . . . . 0.0 110.099 -171.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -134.39 131.64 38.46 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.674 1.124 . . . . 0.0 113.373 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.9 p -86.25 172.37 10.54 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.77 -29.92 12.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.985 2.514 . . . . 0.0 113.372 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -100.47 15.47 27.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.295 1.438 . . . . 0.0 113.003 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.02 21.26 10.38 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.957 2.103 . . . . 0.0 114.586 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.48 125.7 28.52 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.996 -1.065 . . . . 0.0 109.851 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -99.47 140.58 33.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.009 0.924 . . . . 0.0 112.334 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -128.82 150.23 50.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.122 1.769 . . . . 0.0 109.834 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.53 142.8 30.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.657 0.783 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -139.76 110.92 7.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.8 1.24 . . . . 0.0 111.404 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.8 149.84 54.85 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.856 2.371 . . . . 0.0 112.637 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.66 6.94 88.85 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.393 1.473 . . . . 0.0 115.288 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.43 164.28 11.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.608 1.204 . . . . 0.0 113.062 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.56 165.47 27.42 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.522 2.329 . . . . 0.0 110.068 162.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.1 mt -76.53 122.75 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.82 -39.14 3.93 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.133 0.873 . . . . 0.0 114.212 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -146.99 152.57 38.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.454 1.102 . . . . 0.0 112.335 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.15 138.18 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.351 1.46 . . . . 0.0 110.478 161.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -132.02 98.37 4.42 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.41 1.884 . . . . 0.0 108.672 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.411 ' H ' HD22 ' B' ' 53' ' ' LEU . 2.1 mm? -70.23 -27.49 64.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.301 1.44 . . . . 0.0 111.802 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.87 -41.83 86.63 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.711 1.604 . . . . 0.0 111.417 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 38.3 m -89.95 -23.35 21.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.77 1.228 . . . . 0.0 113.992 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.98 42.46 19.9 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.664 1.126 . . . . 0.0 112.963 -172.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.97 143.16 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.159 1.384 . . . . 0.0 112.271 -170.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.9 mt -127.81 136.18 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.001 2.12 . . . . 0.0 109.384 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 14.6 m -118.35 126.86 52.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 174.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.5 mt -94.93 153.74 17.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.827 0.851 . . . . 0.0 111.579 171.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.81 161.46 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 126.55 1.94 . . . . 0.0 111.128 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.294 1.038 . . . . 0.0 111.106 177.03 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -144.45 153.08 41.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.367 1.067 . . . . 0.0 111.56 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.57 -174.59 3.28 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.675 1.59 . . . . 0.0 112.007 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -122.23 137.03 54.98 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.84 0.856 . . . . 0.0 111.675 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 t -82.57 144.68 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 110.133 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.87 138.0 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.312 1.445 . . . . 0.0 111.598 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 126.324 1.85 . . . . 0.0 109.963 177.368 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -137.37 149.27 46.86 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.568 1.147 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.4 mt -130.76 120.68 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.287 1.435 . . . . 0.0 108.825 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.56 165.9 37.4 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.938 0.78 . . . . 0.0 114.148 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 54.07 39.43 30.61 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.229 1.812 . . . . 0.0 113.687 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.54 127.65 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.084 1.754 . . . . 0.0 111.26 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -93.23 -36.17 12.73 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.255 1.022 . . . . 0.0 112.508 170.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -136.96 144.19 43.25 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.875 0.761 . . . . 0.0 112.889 -170.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.59 129.89 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.202 1.401 . . . . 0.0 108.883 173.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -136.57 119.83 16.75 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.94 0.896 . . . . 0.0 111.457 -169.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.6 135.74 36.12 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.275 0.56 . . . . 0.0 110.353 167.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -133.41 -169.46 2.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.009 1.724 . . . . 0.0 110.811 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.37 73.96 0.3 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.272 1.415 . . . . 0.0 113.794 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 18.3 32.52 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.662 1.601 . . . . 0.0 114.978 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.84 164.28 38.72 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.954 1.377 . . . . 0.0 112.597 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -113.44 136.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.197 0.999 . . . . 0.0 110.684 163.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -107.97 151.79 25.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.564 1.945 . . . . 0.0 110.894 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -140.53 133.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.146 1.778 . . . . 0.0 110.107 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.2 m -124.84 130.72 52.93 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.398 0.999 . . . . 0.0 111.989 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -88.53 167.65 13.24 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.134 1.374 . . . . 0.0 113.702 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tt -55.5 -28.75 56.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 113.411 169.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -85.89 7.15 25.23 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.903 1.681 . . . . 0.0 113.335 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 61.92 18.22 9.64 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.334 1.854 . . . . 0.0 114.697 -174.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.13 152.13 32.97 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.159 -0.963 . . . . 0.0 110.988 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -128.13 140.05 52.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.235 1.014 . . . . 0.0 112.369 -175.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -127.06 151.46 48.58 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.912 1.685 . . . . 0.0 109.487 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.07 143.76 30.6 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.768 0.827 . . . . 0.0 112.493 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.73 111.55 8.89 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.474 1.51 . . . . 0.0 111.084 -171.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.36 147.9 53.76 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.04 2.8 83.62 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.535 1.54 . . . . 0.0 115.611 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.3 mt -94.74 166.1 12.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.254 1.527 . . . . 0.0 112.945 174.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.26 162.22 35.52 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.784 2.434 . . . . 0.0 110.588 165.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -75.5 121.33 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.29 -43.43 3.23 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.409 1.004 . . . . 0.0 114.052 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -151.41 147.07 26.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.548 1.139 . . . . 0.0 112.38 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.3 t -126.77 130.41 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.818 2.047 . . . . 0.0 108.599 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -134.81 103.18 5.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.936 1.295 . . . . 0.0 110.123 -174.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.81 -27.1 44.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.421 1.488 . . . . 0.0 112.239 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -67.0 -49.19 66.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.868 0.867 . . . . 0.0 110.929 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -85.76 -23.08 27.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.51 1.124 . . . . 0.0 113.772 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.84 45.86 11.82 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.73 1.157 . . . . 0.0 113.304 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -133.87 142.79 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.595 1.158 . . . . 0.0 111.445 -173.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.8 mt -126.66 124.92 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.63 1.572 . . . . 0.0 109.176 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 t -109.41 128.58 55.24 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.021 1.328 . . . . 0.0 111.574 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -101.46 150.08 23.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.363 1.065 . . . . 0.0 111.984 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.59 161.58 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.979 1.712 . . . . 0.0 110.909 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 . . . . . 0 CA--C 1.541 0.609 0 C-N-CA 124.521 1.128 . . . . 0.0 111.535 -179.74 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.852 0.358 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.7 177.42 5.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.199 1.399 . . . . 0.0 112.649 -171.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 132.71 56.49 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.414 1.085 . . . . 0.0 111.46 167.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.88 144.93 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.929 1.691 . . . . 0.0 110.342 173.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.48 140.54 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.161 1.384 . . . . 0.0 112.182 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 126.994 2.118 . . . . 0.0 110.639 177.855 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -136.82 149.05 47.51 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.861 1.264 . . . . 0.0 112.213 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.3 mt -132.33 121.23 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.659 1.583 . . . . 0.0 108.727 175.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.22 170.13 33.98 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.23 0.919 . . . . 0.0 114.236 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 57.44 33.63 23.54 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.99 1.716 . . . . 0.0 114.634 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.84 129.14 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.287 1.835 . . . . 0.0 111.469 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -92.06 -29.94 16.29 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.603 1.161 . . . . 0.0 113.511 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.91 155.47 34.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.19 131.9 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.908 1.683 . . . . 0.0 109.409 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -119.79 143.12 48.01 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.749 1.62 . . . . 0.0 110.447 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.6 136.27 53.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.795 1.238 . . . . 0.0 112.21 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -102.96 179.72 4.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.368 1.867 . . . . 0.0 110.407 168.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.6 -13.54 45.87 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.856 -1.153 . . . . 0.0 115.42 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.06 32.77 0.29 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.952 1.263 . . . . 0.0 114.402 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.48 166.19 25.22 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.519 1.528 . . . . 0.0 112.11 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -129.51 160.48 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 164.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -132.66 140.21 48.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.888 2.075 . . . . 0.0 110.283 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -131.47 131.95 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.961 2.104 . . . . 0.0 110.058 -171.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -132.94 134.7 44.88 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.142 0.977 . . . . 0.0 112.589 -175.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 p -103.28 167.78 9.6 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.742 1.617 . . . . 0.0 112.929 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.74 -9.61 51.69 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -82.68 4.37 25.23 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.105 1.362 . . . . 0.0 113.587 171.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 62.46 15.61 7.95 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.778 2.031 . . . . 0.0 114.29 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.41 148.5 35.45 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.925 -1.109 . . . . 0.0 111.366 168.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -137.26 141.47 41.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.615 1.166 . . . . 0.0 112.012 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.0 148.65 50.1 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.568 1.947 . . . . 0.0 110.031 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.53 144.27 34.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.884 0.874 . . . . 0.0 112.319 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -140.14 104.24 6.69 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 124.898 1.279 . . . . 0.0 111.131 -171.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.45 143.41 47.43 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.457 2.105 . . . . 0.0 111.792 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.13 4.65 88.16 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.586 1.565 . . . . 0.0 114.62 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.56 161.75 13.62 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.658 1.229 . . . . 0.0 112.109 172.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.28 161.62 35.27 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.911 2.085 . . . . 0.0 110.258 164.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.39 115.55 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.39 -68.63 1.31 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.981 0.8 . . . . 0.0 112.516 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -140.95 141.84 34.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 111.878 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.54 132.86 69.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 127.256 2.223 . . . . 0.0 109.028 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.54 90.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.861 1.265 . . . . 0.0 108.827 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.53 -13.24 60.35 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.282 1.033 . . . . 0.0 113.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -71.4 -40.19 70.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.123 0.969 . . . . 0.0 110.852 172.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -83.05 -28.87 29.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.189 1.396 . . . . 0.0 113.69 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.93 30.31 23.67 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 126.006 1.765 . . . . 0.0 113.976 -174.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -118.08 142.6 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.836 1.654 . . . . 0.0 112.405 -169.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.8 mt -123.3 112.17 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.565 1.546 . . . . 0.0 109.038 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -96.24 121.61 38.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.22 1.408 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.33 151.71 21.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.22 159.02 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.716 1.606 . . . . 0.0 111.409 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 CA--C 1.537 0.48 0 C-N-CA 124.042 0.937 . . . . 0.0 111.469 178.242 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 CA--C 1.544 0.719 0 CA-C-O 121.236 0.541 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -150.76 160.09 44.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.272 1.429 . . . . 0.0 110.656 168.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.03 -179.43 5.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.866 1.266 . . . . 0.0 112.643 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -104.32 145.03 30.83 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 157.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -88.07 143.28 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.94 0.896 . . . . 0.0 109.484 163.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.01 138.95 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.492 1.517 . . . . 0.0 110.554 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.536 0.404 0 C-N-CA 126.052 1.741 . . . . 0.0 110.703 179.413 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -134.87 147.45 49.87 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.829 1.252 . . . . 0.0 112.107 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.22 120.72 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.591 1.556 . . . . 0.0 108.83 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.88 167.33 36.41 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.777 1.18 . . . . 0.0 115.095 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 54.27 34.99 21.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.385 1.874 . . . . 0.0 114.527 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.65 126.08 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.299 1.439 . . . . 0.0 111.254 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.6 mt -87.9 -37.01 16.83 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.121 0.969 . . . . 0.0 112.367 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.44 151.75 34.53 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -168.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.59 137.23 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.927 1.691 . . . . 0.0 109.392 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -130.6 124.57 32.04 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.239 1.815 . . . . 0.0 110.385 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.82 48.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.602 1.161 . . . . 0.0 111.581 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -86.59 -174.4 4.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.79 1.636 . . . . 0.0 111.001 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -14.96 53.17 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.864 -1.147 . . . . 0.0 114.988 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.21 37.51 0.17 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.566 1.079 . . . . 0.0 114.031 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.33 162.72 33.55 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.056 1.742 . . . . 0.0 110.895 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.88 140.89 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 111.711 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -119.19 145.51 45.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.238 2.215 . . . . 0.0 110.594 173.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.4 t -140.16 131.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.783 1.633 . . . . 0.0 109.649 -169.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.8 m -131.44 134.12 45.88 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.089 1.313 . . . . 0.0 113.483 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 p -85.49 172.09 11.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.692 1.597 . . . . 0.0 114.707 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -51.96 -26.08 9.69 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.647 2.379 . . . . 0.0 113.755 168.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.55 18.0 22.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 113.158 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 62.04 16.75 8.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.276 2.231 . . . . 0.0 114.935 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -78.7 117.44 19.84 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.146 -0.971 . . . . 0.0 110.359 174.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -95.1 142.15 27.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.894 0.878 . . . . 0.0 112.368 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -124.63 151.47 44.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.246 2.219 . . . . 0.0 109.493 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.55 139.75 31.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.998 0.919 . . . . 0.0 112.679 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -142.59 111.15 5.8 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.38 1.472 . . . . 0.0 111.623 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.68 150.95 51.47 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.846 2.364 . . . . 0.0 111.802 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 12.73 82.47 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.42 1.01 . . . . 0.0 114.989 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 mt -108.92 163.95 12.84 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.75 1.275 . . . . 0.0 113.121 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.36 163.67 33.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.021 2.128 . . . . 0.0 110.363 163.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -76.3 121.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.768 0.827 . . . . 0.0 109.586 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.8 -44.5 2.87 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.089 1.328 . . . . 0.0 114.174 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -150.06 145.15 26.21 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.399 1.08 . . . . 0.0 110.794 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.49 130.12 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.413 1.885 . . . . 0.0 108.44 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -138.33 99.65 3.91 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.692 0.797 . . . . 0.0 110.821 -165.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.56 -31.68 60.13 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.916 1.286 . . . . 0.0 111.526 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -65.09 -40.59 94.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.878 1.671 . . . . 0.0 112.502 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -97.94 -21.02 17.09 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.39 52.1 5.75 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.77 1.176 . . . . 0.0 113.572 -176.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.9 t -141.21 144.63 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.233 1.413 . . . . 0.0 111.949 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.02 127.69 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.594 1.157 . . . . 0.0 109.643 161.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.1 t -106.12 126.5 52.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.762 1.225 . . . . 0.0 110.7 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -101.6 150.51 23.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.362 1.465 . . . . 0.0 111.928 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.25 159.36 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.729 1.612 . . . . 0.0 111.181 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.74 1.216 . . . . 0.0 111.556 -178.366 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.4 ptm . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.65 -176.95 4.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.657 1.183 . . . . 0.0 112.496 -170.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -122.06 149.6 43.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.141 0.976 . . . . 0.0 112.86 165.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.6 t -95.39 144.65 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 110.559 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.12 137.5 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.121 1.368 . . . . 0.0 111.314 170.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 126.338 1.855 . . . . 0.0 110.876 177.706 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.69 148.01 50.23 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.426 1.09 . . . . 0.0 111.758 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.6 mt -130.18 118.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.918 1.287 . . . . 0.0 108.969 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.23 169.69 40.13 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.245 0.926 . . . . 0.0 114.209 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 57.0 34.81 25.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.757 1.623 . . . . 0.0 114.575 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.07 131.21 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.36 1.464 . . . . 0.0 111.082 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -98.94 -28.68 13.32 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.232 1.413 . . . . 0.0 113.418 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -158.92 159.33 34.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.5 t -133.66 137.32 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 127.313 2.245 . . . . 0.0 109.52 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -129.28 131.74 47.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.808 1.643 . . . . 0.0 111.135 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.65 129.36 41.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.074 0.95 . . . . 0.0 110.685 168.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -110.7 170.62 7.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.73 . . . . 0.0 110.527 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.07 33.46 0.52 Allowed Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.387 1.47 . . . . 0.0 115.538 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.06 -1.3 0.03 OUTLIER Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.857 1.694 . . . . 0.0 115.686 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.54 163.83 29.94 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.393 1.596 . . . . 0.0 112.18 -175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -106.42 144.54 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.246 1.018 . . . . 0.0 110.881 158.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -125.52 145.98 49.86 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.978 2.111 . . . . 0.0 110.467 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.22 134.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.479 1.512 . . . . 0.0 110.433 -169.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.8 m -122.06 129.81 52.73 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.124 0.969 . . . . 0.0 112.324 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.4 p -91.55 166.39 12.86 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.01 1.324 . . . . 0.0 113.394 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.6 tp -55.96 -25.68 44.83 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.953 2.101 . . . . 0.0 113.953 169.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -101.86 19.99 17.25 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.564 1.546 . . . . 0.0 113.648 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t0 60.46 25.62 15.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.027 2.131 . . . . 0.0 114.662 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.26 143.03 31.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.083 -1.01 . . . . 0.0 110.279 165.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -114.1 137.01 52.3 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.374 1.07 . . . . 0.0 111.565 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -118.82 150.78 39.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.801 1.64 . . . . 0.0 110.16 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.25 141.2 28.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.732 0.813 . . . . 0.0 112.737 -176.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -140.46 96.45 7.78 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 125.525 1.53 . . . . 0.0 111.629 -170.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.82 144.14 99.5 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.447 2.764 . . . . 0.0 113.144 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 5.59 85.47 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.04 1.305 . . . . 0.0 115.465 175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.32 161.28 13.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.685 1.242 . . . . 0.0 112.742 170.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.83 158.06 45.13 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.386 2.275 . . . . 0.0 109.878 168.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.48 122.09 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.438 -0.788 . . . . 0.0 109.545 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.13 -42.67 2.36 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.541 1.067 . . . . 0.0 114.327 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -146.92 146.56 30.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.589 1.156 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.31 137.48 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.403 1.881 . . . . 0.0 109.013 171.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -145.91 96.79 2.86 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.221 1.008 . . . . 0.0 109.973 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.9 mt -79.72 -19.32 49.13 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.086 1.355 . . . . 0.0 112.694 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -69.81 -43.99 70.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.955 1.702 . . . . 0.0 110.302 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -78.52 -32.44 48.04 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.184 1.394 . . . . 0.0 112.999 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.15 36.66 17.36 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.073 1.321 . . . . 0.0 113.637 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.52 142.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.204 1.402 . . . . 0.0 112.673 -170.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.19 126.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.854 1.662 . . . . 0.0 109.509 168.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.9 m -107.66 132.81 52.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.748 1.219 . . . . 0.0 111.712 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.6 mt -101.86 154.82 18.58 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.347 1.059 . . . . 0.0 112.365 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.58 162.63 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.598 1.959 . . . . 0.0 111.5 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 . . . . . 0 N--CA 1.473 0.716 0 O-C-N 121.165 -0.96 . . . . 0.0 111.662 179.325 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 CA--C 1.542 0.636 0 CA-C-O 121.01 0.433 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.9 ptp -153.13 171.8 17.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.653 1.581 . . . . 0.0 110.979 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.53 177.68 7.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.83 1.252 . . . . 0.0 111.794 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -112.33 140.59 46.92 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.604 0.761 . . . . 0.0 110.607 157.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.9 t -88.18 142.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.622 1.169 . . . . 0.0 109.952 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.2 137.58 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.991 1.317 . . . . 0.0 110.819 166.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 125.927 1.691 . . . . 0.0 111.948 -176.488 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 N--CA 1.472 0.637 0 CA-C-O 121.135 0.493 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -124.72 151.06 45.52 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.517 0.727 . . . . 0.0 112.557 168.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.1 mt -132.08 115.22 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.329 1.451 . . . . 0.0 107.966 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.22 168.54 42.73 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.488 1.042 . . . . 0.0 113.81 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 57.56 30.7 19.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.133 1.373 . . . . 0.0 114.69 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -72.62 129.13 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.503 1.121 . . . . 0.0 111.185 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.2 mt -99.61 -27.92 13.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.168 0.987 . . . . 0.0 113.137 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -156.81 158.45 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.368 0.986 . . . . 0.0 113.133 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.87 140.5 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 127.078 2.151 . . . . 0.0 110.162 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -128.92 132.5 47.67 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.019 2.127 . . . . 0.0 111.456 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.16 123.76 29.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.124 0.57 . . . . 0.0 110.486 163.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -94.81 174.2 7.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.931 1.693 . . . . 0.0 111.057 170.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.64 84.56 0.2 Allowed Glycine 0 CA--C 1.533 1.189 0 O-C-N 121.101 -1.0 . . . . 0.0 111.789 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.54 14.9 39.35 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.059 1.314 . . . . 0.0 116.199 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.55 170.29 22.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.008 1.404 . . . . 0.0 112.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.7 t -122.62 143.2 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.448 1.099 . . . . 0.0 110.921 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -121.51 146.16 47.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.645 1.978 . . . . 0.0 110.948 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.8 t -141.02 138.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 126.029 1.732 . . . . 0.0 109.566 -168.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 m -131.16 135.32 47.33 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 119.81 1.186 . . . . 0.0 113.155 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.6 p -85.77 170.6 12.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.367 1.467 . . . . 0.0 113.879 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -52.22 -28.26 17.84 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.134 2.173 . . . . 0.0 113.33 168.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -98.04 17.99 17.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.298 1.439 . . . . 0.0 113.239 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t0 60.81 22.88 12.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.973 2.109 . . . . 0.0 114.303 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -85.66 118.04 24.93 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.945 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.51 141.27 29.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.284 0.633 . . . . 0.0 112.166 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -125.85 150.17 48.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.976 2.111 . . . . 0.0 109.698 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.66 139.57 29.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.886 0.874 . . . . 0.0 112.535 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -142.63 105.59 5.41 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.904 1.281 . . . . 0.0 111.895 -168.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -63.55 150.84 87.49 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 123.027 2.485 . . . . 0.0 113.581 175.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.62 5.84 86.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.699 1.143 . . . . 0.0 115.764 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.7 mt -97.29 163.53 12.86 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.538 1.169 . . . . 0.0 113.168 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.27 156.94 45.82 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.297 2.239 . . . . 0.0 110.259 167.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.66 113.31 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.08 -43.16 3.34 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.743 1.163 . . . . 0.0 114.648 -171.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -149.88 146.22 26.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.444 1.098 . . . . 0.0 111.539 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -128.61 134.78 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.987 2.115 . . . . 0.0 108.916 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -142.24 106.33 4.75 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.172 1.389 . . . . 0.0 110.203 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.19 -26.59 33.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.968 1.307 . . . . 0.0 112.699 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -70.96 -42.13 70.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.606 1.162 . . . . 0.0 111.431 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -31.71 42.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.48 1.112 . . . . 0.0 112.871 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.55 44.96 8.96 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.751 1.167 . . . . 0.0 112.487 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.3 t -135.28 141.57 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.263 1.425 . . . . 0.0 112.078 -173.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.2 mt -123.83 125.26 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.295 1.838 . . . . 0.0 108.744 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -105.81 123.42 47.93 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.259 1.024 . . . . 0.0 110.988 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.12 143.08 28.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.515 1.126 . . . . 0.0 110.984 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.35 159.98 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.691 1.596 . . . . 0.0 111.103 -174.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 124.595 1.158 . . . . 0.0 111.257 -178.859 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mtp . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 121.231 0.539 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.21 177.09 7.94 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.569 1.147 . . . . 0.0 111.882 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -124.72 140.42 52.95 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 111.482 165.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -94.4 142.39 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.308 1.443 . . . . 0.0 110.44 176.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.73 142.06 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.659 1.184 . . . . 0.0 112.242 172.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 126.388 1.875 . . . . 0.0 111.18 177.645 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -140.18 132.53 28.38 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.788 1.635 . . . . 0.0 111.014 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -129.64 118.76 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.388 1.475 . . . . 0.0 109.549 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.75 174.1 35.76 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.732 1.158 . . . . 0.0 114.54 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 55.98 33.39 21.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.985 1.714 . . . . 0.0 114.733 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -75.6 131.16 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.838 1.655 . . . . 0.0 110.59 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 mt -98.18 -30.52 12.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.288 1.035 . . . . 0.0 112.987 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -153.62 154.28 33.91 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.55 132.21 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.747 1.619 . . . . 0.0 109.129 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -117.0 142.28 47.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.08 1.752 . . . . 0.0 110.776 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.6 115.43 30.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.15 0.98 . . . . 0.0 109.435 160.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -85.75 -175.08 5.46 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.572 1.949 . . . . 0.0 111.644 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.97 -9.62 47.76 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.801 1.191 . . . . 0.0 115.995 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.34 14.07 0.15 Allowed Glycine 0 N--CA 1.48 1.571 0 CA-C-N 119.229 1.514 . . . . 0.0 115.599 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.01 169.89 23.3 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.483 1.513 . . . . 0.0 111.777 -174.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -112.01 155.51 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 121.27 0.557 . . . . 0.0 111.659 157.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -129.8 137.2 50.37 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.519 1.927 . . . . 0.0 110.245 175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.52 127.69 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 109.484 -173.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.7 m -125.91 128.03 46.93 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.116 0.871 . . . . 0.0 112.161 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -95.02 165.53 12.39 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.669 1.588 . . . . 0.0 112.748 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.79 -12.64 50.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -81.32 3.21 24.99 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.269 1.428 . . . . 0.0 113.424 173.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 60.31 14.59 4.76 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.179 2.191 . . . . 0.0 114.016 -169.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -79.77 140.73 36.8 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.445 1.098 . . . . 0.0 111.14 169.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -120.68 141.75 50.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.24 1.416 . . . . 0.0 111.654 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -121.39 150.34 41.63 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.611 1.964 . . . . 0.0 110.062 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.35 142.86 31.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.457 0.703 . . . . 0.0 112.484 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -141.23 107.66 6.19 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 -172.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.92 147.27 49.25 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.954 2.436 . . . . 0.0 111.971 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.93 6.11 72.12 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.814 1.197 . . . . 0.0 115.774 174.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 41.2 mt -95.7 165.61 12.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.509 1.155 . . . . 0.0 112.028 169.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.85 159.99 41.11 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.381 2.272 . . . . 0.0 110.673 171.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -76.72 118.28 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.06 -37.7 4.04 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.394 0.997 . . . . 0.0 114.533 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.1 144.24 25.61 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.378 1.089 . . . . 0.0 111.365 -178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.91 131.69 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.741 1.616 . . . . 0.0 108.824 173.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -143.43 103.65 4.13 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.087 0.955 . . . . 0.0 110.436 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.6 -15.33 59.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.326 1.05 . . . . 0.0 112.695 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -70.19 -45.81 65.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.712 1.205 . . . . 0.0 110.36 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -81.56 -25.94 35.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.313 1.445 . . . . 0.0 113.056 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.2 41.5 38.64 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.803 1.192 . . . . 0.0 112.069 -171.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.76 139.08 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.522 1.129 . . . . 0.0 112.044 -171.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -121.31 120.27 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.051 1.74 . . . . 0.0 108.263 170.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -102.86 127.37 50.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.62 148.7 23.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.973 1.309 . . . . 0.0 112.09 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.46 159.86 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.141 1.776 . . . . 0.0 110.674 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.23 1.012 . . . . 0.0 110.817 177.758 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.81 155.55 40.29 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.322 1.449 . . . . 0.0 110.901 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.21 178.82 7.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.121 . . . . 0.0 112.785 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -123.18 138.09 54.73 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 111.958 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.49 144.46 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.866 1.666 . . . . 0.0 110.608 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.39 140.9 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.651 1.58 . . . . 0.0 111.621 168.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 126.375 1.87 . . . . 0.0 111.267 176.379 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.059 0.456 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -134.37 151.07 51.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.274 1.43 . . . . 0.0 112.339 172.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.0 mt -130.92 121.44 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.89 1.676 . . . . 0.0 108.201 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.63 171.09 32.95 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.314 0.959 . . . . 0.0 114.019 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.42 35.48 25.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.804 1.642 . . . . 0.0 114.236 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.42 130.88 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.459 1.504 . . . . 0.0 111.56 -174.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -88.83 -39.74 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.978 1.311 . . . . 0.0 112.201 169.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -157.44 161.32 38.93 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -133.72 139.13 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 127.302 2.241 . . . . 0.0 109.091 175.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -127.5 147.4 50.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.759 1.624 . . . . 0.0 111.212 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.45 117.24 28.93 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.135 1.374 . . . . 0.0 110.641 169.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -89.25 -175.0 4.62 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.153 1.781 . . . . 0.0 110.944 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.49 -9.58 44.56 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.83 12.44 0.18 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.63 161.97 37.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 0.0 111.97 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.17 158.69 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.244 0.618 . . . . 0.0 112.315 163.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -133.8 139.88 46.57 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.463 1.905 . . . . 0.0 110.174 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -125.98 134.6 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.909 2.083 . . . . 0.0 110.149 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.2 m -128.28 130.78 48.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.832 1.253 . . . . 0.0 112.418 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 p -98.03 166.4 11.45 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.61 -28.86 61.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.0 2.12 . . . . 0.0 113.283 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -100.82 18.26 19.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.466 1.506 . . . . 0.0 113.085 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t0 60.44 30.37 19.73 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.581 1.952 . . . . 0.0 114.506 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -77.66 147.37 35.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.882 160.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -130.87 138.43 49.82 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.401 1.08 . . . . 0.0 111.035 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -130.47 145.61 51.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.829 1.652 . . . . 0.0 109.497 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 142.82 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.821 0.849 . . . . 0.0 112.225 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.91 110.41 6.6 Favored Pre-proline 0 N--CA 1.471 0.62 0 C-N-CA 124.149 0.98 . . . . 0.0 110.884 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.05 146.76 53.03 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.82 2.346 . . . . 0.0 111.75 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.39 14.41 82.2 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.77 164.04 12.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.775 1.23 . . . . 0.0 112.297 171.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 162.75 34.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.343 2.257 . . . . 0.0 110.248 166.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.18 124.56 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.541 -0.725 . . . . 0.0 109.612 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.47 -48.41 1.84 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.377 0.989 . . . . 0.0 114.186 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -150.95 150.55 30.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.177 0.991 . . . . 0.0 112.512 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.07 135.27 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.107 1.363 . . . . 0.0 111.143 162.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -113.42 109.91 19.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 108.876 167.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.36 -40.88 73.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 0.0 111.318 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -65.03 -37.86 89.0 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.381 1.072 . . . . 0.0 112.479 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -85.34 -22.15 28.61 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.643 1.177 . . . . 0.0 113.613 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.75 41.87 55.26 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.306 0.955 . . . . 0.0 113.352 -177.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.21 136.76 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.011 1.324 . . . . 0.0 111.754 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -121.83 138.76 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.67 1.988 . . . . 0.0 109.33 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -124.64 137.32 54.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.414 1.086 . . . . 0.0 111.914 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.99 148.92 30.0 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.593 1.557 . . . . 0.0 111.918 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.73 159.65 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.929 1.692 . . . . 0.0 111.227 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 . . . . . 0 N--CA 1.473 0.7 0 O-C-N 121.531 -0.731 . . . . 0.0 111.936 -177.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.701 0.286 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.89 -176.6 4.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 112.167 -170.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -117.61 144.61 45.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.908 0.883 . . . . 0.0 113.155 165.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -90.21 147.65 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.213 1.405 . . . . 0.0 110.506 167.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.85 133.97 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.799 1.239 . . . . 0.0 110.373 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 N--CA 1.47 0.549 0 C-N-CA 125.408 1.483 . . . . 0.0 111.404 -176.176 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.25 147.38 50.66 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.028 1.331 . . . . 0.0 111.56 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 58.2 mt -132.82 122.06 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.164 1.385 . . . . 0.0 108.907 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.41 171.31 36.5 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.466 1.031 . . . . 0.0 114.999 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.0 33.9 22.69 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.245 1.818 . . . . 0.0 114.734 173.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.97 130.89 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.269 1.828 . . . . 0.0 111.851 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 43.3 mt -102.5 -22.98 13.95 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.976 1.31 . . . . 0.0 114.218 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.63 150.52 32.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 172.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.88 133.03 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.862 1.665 . . . . 0.0 108.95 170.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -141.28 131.77 25.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.155 0.982 . . . . 0.0 112.436 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.28 118.51 25.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.399 1.08 . . . . 0.0 110.412 168.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -82.12 -173.85 4.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.579 1.552 . . . . 0.0 111.239 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.04 -11.0 43.07 Favored Glycine 0 CA--C 1.54 1.64 0 O-C-N 120.873 -1.142 . . . . 0.0 115.772 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.56 22.95 0.14 Allowed Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.923 1.361 . . . . 0.0 115.368 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.38 162.57 37.64 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.263 1.425 . . . . 0.0 111.818 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.81 136.77 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.744 0.818 . . . . 0.0 110.673 164.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -116.08 147.96 40.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.595 1.958 . . . . 0.0 110.971 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -141.52 135.07 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.376 1.871 . . . . 0.0 109.557 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -133.47 133.57 42.43 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.863 0.756 . . . . 0.0 112.374 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -88.24 171.87 9.87 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.12 -26.89 18.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.466 2.306 . . . . 0.0 113.598 168.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.82 18.29 20.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.334 1.454 . . . . 0.0 112.305 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 59.55 20.16 8.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.577 1.951 . . . . 0.0 114.86 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.64 122.43 24.65 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 171.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -96.79 141.43 30.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.101 0.96 . . . . 0.0 112.189 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -132.01 148.08 52.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.75 1.62 . . . . 0.0 109.689 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.15 139.95 26.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.059 0.944 . . . . 0.0 112.323 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.98 107.95 6.92 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.623 1.169 . . . . 0.0 110.766 -170.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.61 149.03 54.59 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.677 2.251 . . . . 0.0 111.993 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 18.97 78.63 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 172.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.01 164.08 13.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.548 1.539 . . . . 0.0 111.995 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.4 167.57 21.83 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.025 2.13 . . . . 0.0 110.262 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.07 123.42 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.262 -0.899 . . . . 0.0 110.058 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.46 -38.53 4.21 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.809 1.671 . . . . 0.0 114.65 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 mtm105 -143.69 151.97 40.73 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.959 1.303 . . . . 0.0 111.926 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -125.45 124.91 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.924 1.689 . . . . 0.0 107.983 164.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -131.6 97.15 4.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 110.455 -170.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.5 ' H ' HD22 ' B' ' 53' ' ' LEU . 1.2 mm? -73.16 -27.24 61.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.423 1.089 . . . . 0.0 111.651 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -69.12 -50.58 46.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.363 1.465 . . . . 0.0 110.898 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -84.49 -19.83 32.66 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 113.284 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.07 45.6 19.53 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.749 1.166 . . . . 0.0 112.954 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.9 143.54 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.113 1.365 . . . . 0.0 111.6 -171.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -124.88 120.23 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.409 1.484 . . . . 0.0 108.868 167.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -98.82 123.07 42.83 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.048 0.939 . . . . 0.0 110.73 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mp -100.02 144.55 28.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.011 1.324 . . . . 0.0 109.971 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.66 157.76 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.996 1.719 . . . . 0.0 110.933 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 . . . . . 0 CA--C 1.539 0.522 0 O-C-N 121.009 -1.057 . . . . 0.0 112.254 -178.361 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.54 0.579 0 CA-C-O 121.095 0.474 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.82 162.43 38.63 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 126.081 1.752 . . . . 0.0 110.437 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.28 179.12 6.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.196 1.398 . . . . 0.0 111.955 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -108.56 140.38 41.99 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.278 0.631 . . . . 0.0 111.252 159.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -85.72 139.09 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 123.786 0.834 . . . . 0.0 109.041 165.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -139.87 137.74 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.077 1.351 . . . . 0.0 110.061 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.468 0.463 0 C-N-CA 124.612 1.165 . . . . 0.0 111.977 -173.538 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -141.6 138.59 32.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.182 1.393 . . . . 0.0 111.326 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.01 123.07 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.756 1.622 . . . . 0.0 109.111 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.71 169.09 35.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.235 0.921 . . . . 0.0 114.937 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 55.78 33.3 21.19 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.17 1.788 . . . . 0.0 114.39 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.12 125.65 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.052 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.75 -33.72 12.18 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.887 0.875 . . . . 0.0 112.405 167.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -133.63 139.07 46.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.728 0.811 . . . . 0.0 113.06 -170.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.0 t -138.34 136.42 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.159 1.384 . . . . 0.0 108.727 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -141.67 141.4 33.35 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.061 1.345 . . . . 0.0 110.44 -170.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.55 134.47 54.83 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.387 1.075 . . . . 0.0 110.471 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -128.02 -165.84 1.54 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.983 2.113 . . . . 0.0 110.94 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.79 73.31 0.36 Allowed Glycine 0 CA--C 1.538 1.529 0 C-N-CA 125.176 1.369 . . . . 0.0 114.262 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.74 12.24 55.83 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 126.165 1.84 . . . . 0.0 115.622 175.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.95 161.13 43.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.872 1.269 . . . . 0.0 112.418 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.1 m -111.52 156.54 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.343 1.057 . . . . 0.0 112.172 169.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -134.47 139.16 45.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.613 1.965 . . . . 0.0 110.685 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -131.76 133.14 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.056 1.742 . . . . 0.0 110.244 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -129.06 137.39 51.25 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.598 1.09 . . . . 0.0 112.702 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -96.7 167.8 10.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.948 1.299 . . . . 0.0 114.322 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -55.59 -25.94 41.1 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.197 2.199 . . . . 0.0 113.706 170.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.05 19.65 20.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.45 1.5 . . . . 0.0 113.547 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t0 60.0 27.9 17.36 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.721 2.008 . . . . 0.0 114.998 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -76.55 146.92 38.05 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.964 -1.085 . . . . 0.0 110.219 160.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -130.11 138.41 50.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.206 1.003 . . . . 0.0 111.538 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -129.53 144.21 51.17 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.721 1.608 . . . . 0.0 109.288 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 144.04 32.32 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.342 0.657 . . . . 0.0 111.858 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -143.29 115.01 5.8 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 124.141 0.976 . . . . 0.0 111.101 -172.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.05 147.49 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.681 2.254 . . . . 0.0 112.032 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.14 13.36 82.8 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 173.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 mt -102.72 166.8 10.29 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.427 1.114 . . . . 0.0 112.198 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.21 158.41 43.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.716 2.006 . . . . 0.0 110.975 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.34 124.32 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.44 -50.96 1.63 Allowed Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.096 1.332 . . . . 0.0 113.93 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -146.53 150.08 34.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.564 1.546 . . . . 0.0 111.75 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.0 t -132.13 106.73 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.217 1.807 . . . . 0.0 107.85 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.52 102.8 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.957 1.303 . . . . 0.0 110.567 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.19 -47.82 63.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.736 -0.603 . . . . 0.0 111.741 -172.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.13 -40.47 90.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.926 0.89 . . . . 0.0 112.038 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t -71.82 -30.75 65.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.251 1.021 . . . . 0.0 112.81 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 40.21 37.27 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.504 1.05 . . . . 0.0 112.604 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -135.66 136.22 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.858 1.263 . . . . 0.0 111.828 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -123.78 120.53 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.682 1.593 . . . . 0.0 109.193 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.1 t -97.43 124.86 41.76 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.96 1.304 . . . . 0.0 110.715 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.54 144.46 41.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.647 1.179 . . . . 0.0 110.847 173.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.48 160.7 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.102 1.361 . . . . 0.0 111.696 -168.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 124.573 1.149 . . . . 0.0 110.562 179.689 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptm . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 -177.46 5.07 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.367 1.067 . . . . 0.0 112.591 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -123.9 141.44 52.03 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.373 1.069 . . . . 0.0 111.394 165.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.9 143.75 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.857 0.863 . . . . 0.0 110.179 170.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.81 140.66 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.657 1.583 . . . . 0.0 111.118 171.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 126.371 1.868 . . . . 0.0 111.086 178.511 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.85 0.357 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -140.13 152.76 46.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.634 1.174 . . . . 0.0 112.579 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.4 mt -127.27 122.91 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.774 1.63 . . . . 0.0 108.512 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.48 165.56 32.53 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.607 1.099 . . . . 0.0 114.354 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.06 39.13 30.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.312 1.845 . . . . 0.0 113.675 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 94.5 t -70.86 129.05 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.694 1.198 . . . . 0.0 110.717 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -99.05 -34.36 10.43 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.59 1.556 . . . . 0.0 111.943 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -159.22 154.23 25.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.773 1.229 . . . . 0.0 113.694 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -132.86 143.07 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.676 1.99 . . . . 0.0 109.999 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -136.97 132.05 33.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.832 1.253 . . . . 0.0 111.528 -171.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.79 124.64 39.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.065 0.946 . . . . 0.0 110.472 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -107.09 -176.18 3.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.72 1.608 . . . . 0.0 110.757 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.84 81.74 0.12 Allowed Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.077 -1.015 . . . . 0.0 113.299 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 23.41 40.48 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.054 1.311 . . . . 0.0 114.995 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.71 165.9 35.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.798 1.239 . . . . 0.0 112.696 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.77 145.98 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.088 1.355 . . . . 0.0 111.43 168.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -119.73 148.31 43.56 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.988 1.715 . . . . 0.0 110.698 168.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.51 129.05 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.968 1.707 . . . . 0.0 109.426 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.9 m -124.91 132.25 53.32 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.7 p -90.81 164.14 14.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.072 1.349 . . . . 0.0 113.281 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.87 -18.66 57.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 113.449 172.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -107.2 22.25 16.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.768 1.627 . . . . 0.0 113.092 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.75 13.98 6.9 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.507 2.323 . . . . 0.0 116.334 174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.63 144.4 41.75 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.947 -1.095 . . . . 0.0 110.865 163.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -129.99 144.19 51.2 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.141 1.377 . . . . 0.0 111.532 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -129.69 149.2 51.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 126.511 1.924 . . . . 0.0 110.278 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 142.79 34.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.973 0.909 . . . . 0.0 112.551 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -140.0 95.09 8.66 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.53 1.532 . . . . 0.0 111.743 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -67.08 138.67 48.29 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.623 2.215 . . . . 0.0 111.431 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.45 2.91 88.86 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.664 1.126 . . . . 0.0 115.292 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 mt -99.01 162.37 13.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.841 1.32 . . . . 0.0 112.172 166.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 156.57 47.26 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.752 2.421 . . . . 0.0 109.605 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.1 mt -71.63 121.26 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.794 -1.191 . . . . 0.0 108.789 173.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.72 -60.57 1.27 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.378 0.99 . . . . 0.0 112.835 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -145.03 155.59 43.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.583 1.153 . . . . 0.0 112.807 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.95 134.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 127.463 2.305 . . . . 0.0 108.677 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -140.03 100.93 4.04 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.114 1.365 . . . . 0.0 109.471 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 65.7 mt -80.47 -18.14 49.54 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.694 1.198 . . . . 0.0 112.93 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -68.95 -44.7 72.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.287 1.435 . . . . 0.0 109.849 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -76.38 -32.52 58.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.594 1.158 . . . . 0.0 113.224 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.57 34.43 22.53 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.413 1.483 . . . . 0.0 113.237 -174.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.84 141.15 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.976 1.31 . . . . 0.0 112.171 -169.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -122.19 126.55 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.89 1.676 . . . . 0.0 108.772 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 42.2 t -110.26 126.21 53.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.582 1.153 . . . . 0.0 111.247 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.9 mt -96.57 151.68 19.36 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.326 1.05 . . . . 0.0 112.128 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.29 162.06 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.853 1.661 . . . . 0.0 111.315 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 CA--C 1.538 0.507 0 C-N-CA 123.683 0.793 . . . . 0.0 111.872 177.818 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 133.68 55.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.017 0.927 . . . . 0.0 111.871 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.44 -174.75 2.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.714 1.605 . . . . 0.0 112.201 -173.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.64 139.2 52.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.054 0.942 . . . . 0.0 111.307 159.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 t -91.14 145.07 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.645 1.178 . . . . 0.0 110.198 173.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.26 136.96 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.513 1.525 . . . . 0.0 111.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 126.34 1.856 . . . . 0.0 111.702 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.707 0.289 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -135.0 147.21 49.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.675 1.19 . . . . 0.0 111.58 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -128.67 118.16 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.404 1.482 . . . . 0.0 108.472 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.01 166.7 37.27 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.381 0.991 . . . . 0.0 114.424 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 54.19 36.75 25.72 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.578 1.551 . . . . 0.0 114.356 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -76.29 119.09 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.011 1.324 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tt -88.91 -33.95 17.1 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.586 1.154 . . . . 0.0 112.227 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -153.36 155.44 36.44 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.857 0.863 . . . . 0.0 112.698 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.1 t -136.62 142.26 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.826 1.651 . . . . 0.0 110.334 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 mtm105 -137.06 154.63 50.29 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.283 1.833 . . . . 0.0 111.442 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -127.23 135.87 51.23 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.584 1.554 . . . . 0.0 111.213 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -107.98 7.06 27.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.801 1.641 . . . . 0.0 113.988 -168.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.86 34.95 88.76 Favored Glycine 0 CA--C 1.545 1.923 0 C-N-CA 123.927 0.775 . . . . 0.0 113.224 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.87 -19.09 0.05 OUTLIER Glycine 0 CA--C 1.539 1.561 0 C-N-CA 126.192 1.853 . . . . 0.0 113.869 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.94 162.84 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.635 1.974 . . . . 0.0 110.273 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 m -107.0 160.2 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-O 121.245 0.545 . . . . 0.0 111.803 160.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -134.05 135.36 43.26 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.113 2.165 . . . . 0.0 109.397 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.9 t -129.73 118.33 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 126.319 1.848 . . . . 0.0 109.392 -171.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.7 m -117.93 131.68 56.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.56 0.744 . . . . 0.0 112.002 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -83.1 166.79 18.41 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.468 1.107 . . . . 0.0 113.783 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.0 tp -54.21 -21.0 7.84 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.503 2.321 . . . . 0.0 113.375 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.49 18.09 21.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.283 1.833 . . . . 0.0 113.324 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.31 15.39 8.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.344 2.258 . . . . 0.0 115.897 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -76.75 142.38 40.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.929 -1.107 . . . . 0.0 110.352 166.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -125.37 129.47 49.99 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.374 0.67 . . . . 0.0 112.067 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -103.86 153.88 20.26 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.375 1.87 . . . . 0.0 110.005 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.97 35.83 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.881 0.872 . . . . 0.0 112.096 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.28 101.16 7.58 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.31 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.11 146.25 97.86 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.857 3.038 . . . . 0.0 113.753 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.05 3.9 70.54 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.032 1.301 . . . . 0.0 116.195 173.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.71 166.07 11.66 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.906 1.283 . . . . 0.0 112.083 170.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.01 161.44 37.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.847 2.459 . . . . 0.0 110.309 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.37 119.77 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.367 -0.833 . . . . 0.0 109.306 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.56 -40.76 4.64 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.99 1.281 . . . . 0.0 114.051 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -148.63 156.04 41.88 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.437 1.095 . . . . 0.0 112.383 172.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -130.68 109.56 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.08 1.752 . . . . 0.0 108.096 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -107.17 87.09 2.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.646 1.179 . . . . 0.0 109.931 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 53' ' ' LEU . 2.4 mm? -61.33 -38.48 87.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.935 0.894 . . . . 0.0 112.191 -176.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.53 -34.58 78.56 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.934 1.694 . . . . 0.0 113.182 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 t -91.12 -29.4 17.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.722 1.209 . . . . 0.0 113.806 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.15 35.0 28.26 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.704 1.145 . . . . 0.0 112.947 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.11 140.61 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.845 1.258 . . . . 0.0 111.796 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -122.76 126.47 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.549 1.54 . . . . 0.0 109.227 173.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -101.39 137.99 39.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.589 1.155 . . . . 0.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.74 143.81 43.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.934 1.294 . . . . 0.0 111.327 174.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 162.22 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.407 1.883 . . . . 0.0 110.987 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 N--CA 1.472 0.655 0 O-C-N 121.525 -0.734 . . . . 0.0 112.028 179.645 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.7 ptm . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.37 -178.82 5.46 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.281 -174.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -123.06 149.06 44.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.799 1.64 . . . . 0.0 111.5 165.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.32 143.62 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.062 1.345 . . . . 0.0 110.325 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -134.45 140.98 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.571 1.549 . . . . 0.0 111.411 172.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.47 0.564 0 C-N-CA 126.199 1.8 . . . . 0.0 110.798 178.167 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -135.66 145.18 46.51 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.847 1.259 . . . . 0.0 111.817 -175.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.98 121.38 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.427 1.491 . . . . 0.0 108.82 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.8 168.89 33.32 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.431 1.015 . . . . 0.0 113.631 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 56.16 36.33 27.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.02 1.728 . . . . 0.0 114.518 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.36 129.25 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.63 1.572 . . . . 0.0 110.978 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.17 -23.0 13.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.453 1.101 . . . . 0.0 113.654 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -158.3 153.84 26.15 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 172.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 56.7 t -134.94 140.69 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.256 2.222 . . . . 0.0 109.16 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -136.73 147.58 46.8 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.716 1.206 . . . . 0.0 111.709 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 124.68 50.62 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.615 1.166 . . . . 0.0 111.17 171.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -88.47 172.83 9.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.732 1.613 . . . . 0.0 111.145 167.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 48.63 1.22 Allowed Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.183 1.373 . . . . 0.0 114.131 173.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.99 3.43 0.21 Allowed Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.339 1.447 . . . . 0.0 116.182 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.31 162.9 37.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.677 1.739 . . . . 0.0 112.692 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -112.3 143.59 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.616 1.166 . . . . 0.0 111.572 167.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -122.37 145.9 47.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.634 2.373 . . . . 0.0 110.777 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.24 137.01 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.986 1.714 . . . . 0.0 110.478 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.0 m -131.52 128.18 38.8 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.205 1.002 . . . . 0.0 112.007 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.6 p -90.18 169.99 10.68 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -52.98 -29.16 27.4 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.945 2.098 . . . . 0.0 113.781 168.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -99.11 18.58 17.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.256 1.423 . . . . 0.0 112.969 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.29 3.0 p30 56.24 20.07 4.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 129.208 3.003 . . . . 0.0 115.227 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.77 134.84 46.45 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.968 168.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -109.94 135.88 50.1 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.397 1.079 . . . . 0.0 111.795 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -123.16 146.82 47.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.65 1.58 . . . . 0.0 109.196 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.94 142.95 30.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 112.49 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -139.63 107.19 7.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.988 1.315 . . . . 0.0 111.049 -169.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.79 144.87 49.69 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.961 2.441 . . . . 0.0 111.686 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.62 80.52 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 124.266 0.936 . . . . 0.0 114.976 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 40.2 mt -106.68 162.17 14.0 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.98 1.39 . . . . 0.0 112.295 170.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 155.84 48.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.553 1.941 . . . . 0.0 110.666 168.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 51.5 mt -74.69 119.83 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.07 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.96 -42.13 2.7 Favored Glycine 0 N--CA 1.474 1.222 0 C-N-CA 124.456 1.026 . . . . 0.0 114.384 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -149.91 145.32 26.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.83 1.252 . . . . 0.0 111.743 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -139.79 105.33 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.557 1.943 . . . . 0.0 108.606 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -110.37 112.91 25.16 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.082 0.953 . . . . 0.0 109.966 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 54.9 mt -86.47 -26.62 24.55 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -66.88 -42.46 85.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.539 1.135 . . . . 0.0 111.972 176.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 84.8 p -86.89 -21.44 26.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.409 1.084 . . . . 0.0 113.601 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.76 46.11 25.23 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.732 1.158 . . . . 0.0 112.864 -178.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -129.28 133.29 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.213 1.005 . . . . 0.0 111.471 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -120.78 129.2 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.935 1.694 . . . . 0.0 108.576 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.37 128.43 55.51 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.222 1.409 . . . . 0.0 110.776 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -98.72 151.11 21.1 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.53 1.132 . . . . 0.0 111.754 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -128.97 160.82 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 126.03 1.732 . . . . 0.0 111.019 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 124.041 0.936 . . . . 0.0 112.037 -176.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 121.652 0.739 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -150.4 156.36 41.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.436 2.294 . . . . 0.0 109.481 170.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.74 -178.51 4.06 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.351 1.06 . . . . 0.0 112.729 -170.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -121.96 134.42 54.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.064 1.345 . . . . 0.0 111.536 165.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.6 t -92.44 143.19 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.55 1.14 . . . . 0.0 109.878 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -140.93 143.23 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.542 0.642 0 C-N-CA 126.795 2.038 . . . . 0.0 110.872 178.464 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -142.22 153.25 43.84 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 112.537 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.3 mt -131.11 123.27 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.714 1.605 . . . . 0.0 108.241 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.02 168.4 32.59 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.57 1.081 . . . . 0.0 113.547 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 55.32 36.77 27.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.672 1.589 . . . . 0.0 113.92 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.2 125.93 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.143 1.777 . . . . 0.0 111.783 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tt -96.12 -36.02 11.13 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 125.168 1.387 . . . . 0.0 111.907 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -151.59 156.08 39.74 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.146 0.979 . . . . 0.0 113.454 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -139.62 140.86 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.611 1.964 . . . . 0.0 109.912 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 mtp85 -130.52 137.66 49.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.916 1.687 . . . . 0.0 112.111 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.39 120.59 33.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 109.82 161.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -94.59 -179.65 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.125 1.77 . . . . 0.0 110.955 172.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.8 86.63 0.12 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 120.996 -1.065 . . . . 0.0 111.813 168.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 21.7 43.92 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.872 1.701 . . . . 0.0 115.594 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.86 165.14 37.38 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.228 1.514 . . . . 0.0 112.776 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -114.84 144.28 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.724 1.21 . . . . 0.0 111.11 166.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -123.89 145.92 48.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.066 1.746 . . . . 0.0 110.937 171.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.9 t -135.59 136.14 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.376 1.87 . . . . 0.0 109.536 -173.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -130.82 126.72 37.02 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.888 0.875 . . . . 0.0 111.438 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -78.21 166.33 22.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.079 0.952 . . . . 0.0 113.014 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.81 -31.01 66.19 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.685 1.194 . . . . 0.0 111.844 172.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -86.66 13.65 8.29 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.154 1.782 . . . . 0.0 113.871 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 63.01 20.37 12.25 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.873 2.069 . . . . 0.0 115.482 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.23 127.93 34.3 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.353 -1.467 . . . . 0.0 110.122 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -102.61 141.69 35.01 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.613 1.165 . . . . 0.0 112.356 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -135.18 149.7 49.99 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.913 1.685 . . . . 0.0 110.228 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.87 143.23 33.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.532 1.133 . . . . 0.0 112.493 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -141.23 103.82 6.08 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.118 1.367 . . . . 0.0 111.423 -172.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 147.57 59.25 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 122.5 2.133 . . . . 0.0 112.102 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 6.14 89.34 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.384 1.469 . . . . 0.0 114.84 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.1 mt -106.6 163.78 12.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.714 1.206 . . . . 0.0 112.44 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.55 160.55 39.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.27 2.228 . . . . 0.0 110.19 167.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.74 122.05 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.394 -0.817 . . . . 0.0 108.844 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.6 -72.82 1.18 Allowed Glycine 0 CA--C 1.522 0.512 0 C-N-CA 124.444 1.021 . . . . 0.0 113.097 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -136.99 143.31 42.72 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.226 1.01 . . . . 0.0 111.833 -174.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.28 111.76 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.819 1.648 . . . . 0.0 109.473 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.8 109.78 21.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.009 1.324 . . . . 0.0 109.557 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -51.48 17.53 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.904 -0.497 . . . . 0.0 111.35 -175.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -23.55 65.62 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -91.97 -17.87 24.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.181 1.392 . . . . 0.0 113.821 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.02 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.381 1.467 . . . . 0.0 113.833 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.41 136.56 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.761 1.28 . . . . 0.0 111.889 -175.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.4 mt -127.03 112.98 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.665 1.586 . . . . 0.0 109.327 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.2 m -97.57 124.72 41.93 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.039 1.335 . . . . 0.0 111.101 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -88.83 156.33 19.01 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.998 0.919 . . . . 0.0 112.074 174.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.94 162.27 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.016 1.727 . . . . 0.0 111.213 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 123.941 0.896 . . . . 0.0 111.293 178.616 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ppp? . . . . . 0 C--O 1.237 0.403 0 CA-C-O 121.296 0.569 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.96 173.32 11.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.203 1.001 . . . . 0.0 112.42 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -103.2 143.8 32.15 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.011 0.924 . . . . 0.0 110.534 158.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t -98.89 138.78 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.154 . . . . 0.0 109.682 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -134.95 142.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.747 1.219 . . . . 0.0 111.762 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 126.175 1.79 . . . . 0.0 110.65 176.248 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -140.41 140.37 35.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.022 1.329 . . . . 0.0 111.489 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mt -126.01 122.07 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 125.419 1.488 . . . . 0.0 108.29 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.84 168.44 31.58 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.592 1.092 . . . . 0.0 114.001 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 57.31 35.16 25.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.293 1.437 . . . . 0.0 114.571 171.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -74.63 129.18 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.102 1.761 . . . . 0.0 111.172 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -97.14 -26.22 15.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.937 1.295 . . . . 0.0 112.629 174.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -156.14 153.58 29.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -137.34 140.17 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.487 1.915 . . . . 0.0 109.834 176.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -134.84 127.87 31.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.781 1.233 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.21 131.09 35.49 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.8 0.84 . . . . 0.0 110.119 159.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -111.54 13.31 21.34 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.88 1.272 . . . . 0.0 113.301 -168.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.35 45.45 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.716 1.151 . . . . 0.0 114.302 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.1 -13.96 0.11 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.621 1.581 . . . . 0.0 114.342 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.44 168.88 22.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.845 2.058 . . . . 0.0 110.037 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.13 159.95 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 162.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -131.96 144.26 50.69 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.058 2.143 . . . . 0.0 110.165 176.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -134.92 131.72 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.868 2.067 . . . . 0.0 109.693 -175.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 91.7 m -131.45 130.8 42.94 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.727 0.694 . . . . 0.0 112.327 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.6 p -102.22 165.4 11.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.348 1.459 . . . . 0.0 113.135 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.84 -10.97 42.83 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -81.02 3.58 22.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.88 1.272 . . . . 0.0 113.397 174.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 t0 61.71 19.74 10.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.678 1.991 . . . . 0.0 113.693 -170.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -89.07 142.34 27.73 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.992 1.317 . . . . 0.0 111.463 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -126.3 142.3 51.58 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.464 1.506 . . . . 0.0 111.026 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -129.43 145.89 51.36 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.412 1.885 . . . . 0.0 110.099 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.84 143.96 35.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.712 0.805 . . . . 0.0 112.776 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -142.26 104.15 5.57 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 124.553 1.141 . . . . 0.0 111.275 -170.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.73 146.99 95.28 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.5 2.8 . . . . 0.0 113.347 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.62 4.33 80.85 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.855 1.102 . . . . 0.0 115.855 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.61 166.75 11.52 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.238 1.519 . . . . 0.0 112.836 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.68 160.98 40.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -77.17 119.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.529 -0.732 . . . . 0.0 109.138 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.86 -42.64 3.78 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.338 0.97 . . . . 0.0 114.044 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -150.37 147.93 28.19 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.39 1.076 . . . . 0.0 111.916 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.65 132.93 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.015 1.726 . . . . 0.0 109.925 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.59 109.71 11.6 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.98 1.712 . . . . 0.0 109.988 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.42 -41.18 48.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.08 0.952 . . . . 0.0 112.454 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -62.5 -48.86 77.73 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.29 1.036 . . . . 0.0 111.094 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -75.06 -23.4 58.07 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.65 1.18 . . . . 0.0 113.274 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.35 46.06 43.91 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.856 1.217 . . . . 0.0 113.01 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.62 139.1 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.691 1.196 . . . . 0.0 112.01 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -128.84 123.74 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.147 1.779 . . . . 0.0 108.46 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -104.89 125.87 51.37 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.062 0.945 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.38 150.03 20.72 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.9 1.28 . . . . 0.0 111.573 173.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.14 157.72 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.09 1.756 . . . . 0.0 110.644 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 123.872 0.869 . . . . 0.0 109.148 173.639 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m . . . . . 0 CA--C 1.546 0.82 0 CA-C-O 121.747 0.784 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 167.79 21.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 110.791 165.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.15 175.04 9.9 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.969 1.308 . . . . 0.0 111.461 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.58 141.78 35.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.257 0.623 . . . . 0.0 111.238 158.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.79 142.67 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.965 0.906 . . . . 0.0 109.316 162.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 p -132.57 138.44 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.281 1.432 . . . . 0.0 110.7 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 125.474 1.51 . . . . 0.0 111.568 -177.055 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 N--CA 1.474 0.762 0 CA-C-O 121.008 0.432 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.76 150.39 50.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.961 1.305 . . . . 0.0 111.81 171.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.5 mt -127.76 122.34 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.864 1.666 . . . . 0.0 108.327 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.93 166.21 32.38 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.194 0.902 . . . . 0.0 113.739 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 54.4 36.41 25.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.103 1.361 . . . . 0.0 113.889 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.13 129.4 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.084 1.354 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.0 -39.19 8.26 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.3 1.84 . . . . 0.0 111.075 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -155.25 161.99 41.0 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.65 138.19 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.556 1.943 . . . . 0.0 109.661 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -127.8 127.74 44.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.727 1.611 . . . . 0.0 110.9 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.12 138.3 31.54 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.835 0.854 . . . . 0.0 111.981 172.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -107.6 173.4 6.34 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.269 1.828 . . . . 0.0 110.597 168.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.15 45.64 1.17 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.874 1.226 . . . . 0.0 114.247 175.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.75 11.36 0.44 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.46 1.505 . . . . 0.0 115.881 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.19 168.9 25.85 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.432 1.616 . . . . 0.0 112.221 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.68 143.13 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.629 1.172 . . . . 0.0 111.421 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -120.89 143.69 48.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.705 2.002 . . . . 0.0 110.482 173.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.73 134.32 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.816 1.647 . . . . 0.0 109.728 -171.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -125.35 131.21 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.321 1.048 . . . . 0.0 111.109 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -90.33 166.68 13.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.125 0.97 . . . . 0.0 113.132 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.97 -23.36 53.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.644 1.977 . . . . 0.0 112.936 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -107.5 23.02 15.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.15 1.78 . . . . 0.0 113.071 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 62.46 20.14 11.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.897 2.079 . . . . 0.0 115.665 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -74.39 145.39 43.79 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.712 -1.243 . . . . 0.0 110.321 165.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -123.78 139.98 53.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.162 0.985 . . . . 0.0 111.571 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -132.39 147.96 52.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.564 1.545 . . . . 0.0 109.64 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 143.11 31.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.324 0.65 . . . . 0.0 112.386 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.68 103.85 5.86 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.871 1.268 . . . . 0.0 111.756 -168.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.5 145.93 54.24 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.002 2.468 . . . . 0.0 112.218 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.2 -3.07 87.48 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.542 1.544 . . . . 0.0 114.416 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.6 mt -94.21 162.91 13.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.798 1.299 . . . . 0.0 113.17 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.06 157.11 47.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.706 2.403 . . . . 0.0 110.074 165.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.57 114.89 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.2 -73.64 1.28 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.33 0.967 . . . . 0.0 112.813 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -141.24 148.31 39.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.808 1.243 . . . . 0.0 111.518 -171.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.78 139.51 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.568 1.547 . . . . 0.0 109.979 -169.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -143.38 99.28 3.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.417 1.487 . . . . 0.0 110.05 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -73.51 -28.99 62.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.146 1.378 . . . . 0.0 112.232 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -66.15 -40.49 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.015 1.726 . . . . 0.0 111.319 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -83.04 -30.16 28.28 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.073 1.349 . . . . 0.0 113.066 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.13 40.86 8.34 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.219 1.39 . . . . 0.0 113.177 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -131.39 139.59 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.981 1.312 . . . . 0.0 111.974 -169.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.8 mt -125.53 120.0 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 126.485 1.914 . . . . 0.0 108.59 170.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -105.19 121.74 44.47 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.036 1.335 . . . . 0.0 110.902 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -95.1 147.67 23.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.53 1.132 . . . . 0.0 110.964 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.95 157.7 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.233 1.413 . . . . 0.0 111.33 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 N--CA 1.475 0.804 0 C-N-CA 123.477 0.711 . . . . 0.0 110.78 179.468 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 ppp? . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 120.994 0.426 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.66 178.53 7.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.848 0.859 . . . . 0.0 112.345 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -123.31 141.69 51.72 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 125.088 1.355 . . . . 0.0 111.564 163.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.69 142.71 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.816 0.846 . . . . 0.0 109.746 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.7 136.53 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.676 1.19 . . . . 0.0 111.232 173.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.472 0.639 0 C-N-CA 125.558 1.543 . . . . 0.0 111.953 -177.167 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.901 0.381 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -123.17 146.53 47.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.962 1.305 . . . . 0.0 111.374 169.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 75.7 mt -129.29 113.41 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.546 1.538 . . . . 0.0 109.037 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.78 173.98 40.55 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.421 1.01 . . . . 0.0 114.853 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 56.31 34.45 24.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.417 1.887 . . . . 0.0 114.156 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.27 129.54 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.507 1.123 . . . . 0.0 110.941 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -100.52 -27.3 13.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.11 147.83 26.27 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.194 0.907 . . . . 0.0 113.185 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -140.36 143.63 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.192 1.797 . . . . 0.0 109.604 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -136.11 130.3 33.15 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.594 1.158 . . . . 0.0 111.258 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.83 129.69 34.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.431 0.634 . . . . 0.0 109.662 157.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.34 22.12 14.55 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.696 1.998 . . . . 0.0 111.703 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.45 -80.88 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.066 1.794 . . . . 0.0 111.755 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.58 90.51 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.367 0.984 . . . . 0.0 115.16 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.08 171.72 19.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.773 1.629 . . . . 0.0 110.856 -174.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 m -119.26 161.86 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.231 0.612 . . . . 0.0 112.545 158.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -131.05 147.52 52.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.213 2.205 . . . . 0.0 111.411 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 83.6 t -136.54 129.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.566 1.946 . . . . 0.0 108.907 -173.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.7 m -128.35 133.13 48.6 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.442 1.019 . . . . 0.0 112.395 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.7 p -91.53 167.14 12.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.424 1.489 . . . . 0.0 114.14 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -51.87 -26.95 11.2 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.771 2.428 . . . . 0.0 113.954 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -101.24 15.05 30.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.683 1.593 . . . . 0.0 113.92 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t0 61.78 14.95 6.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.997 2.119 . . . . 0.0 115.143 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -78.74 147.56 33.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.663 -1.273 . . . . 0.0 110.381 162.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.73 159.19 39.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.836 0.854 . . . . 0.0 113.248 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -132.55 152.57 51.54 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.088 2.155 . . . . 0.0 109.661 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 137.41 28.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.178 0.991 . . . . 0.0 112.145 -175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.91 98.69 7.67 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.361 1.065 . . . . 0.0 111.997 -171.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -61.0 144.54 99.59 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.262 2.641 . . . . 0.0 112.428 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.52 82.46 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 115.375 0.91 . . . . 0.0 115.375 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 81.1 mt -113.21 161.82 16.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 0.0 111.715 170.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.93 44.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.862 2.065 . . . . 0.0 110.901 172.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.9 121.34 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.318 -0.864 . . . . 0.0 109.685 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.62 -40.91 3.75 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.056 1.312 . . . . 0.0 113.828 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -150.42 145.53 26.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.634 1.174 . . . . 0.0 111.972 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -128.19 126.53 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.704 1.602 . . . . 0.0 108.305 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -131.92 106.88 8.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.201 1.0 . . . . 0.0 110.599 -173.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.12 -21.64 39.7 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.462 1.105 . . . . 0.0 112.355 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -64.52 -45.43 87.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 110.766 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.2 t -92.56 -26.5 17.87 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.666 1.187 . . . . 0.0 113.287 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.88 44.93 13.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.015 0.817 . . . . 0.0 112.223 -172.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.3 t -131.02 140.07 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.627 1.171 . . . . 0.0 112.009 -172.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.6 mt -123.89 113.27 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.446 . . . . 0.0 108.062 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -98.62 129.25 45.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.187 0.995 . . . . 0.0 111.48 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.46 151.59 21.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.472 1.109 . . . . 0.0 112.695 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.91 157.75 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.324 1.85 . . . . 0.0 111.296 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 112.009 -178.432 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.7 m . . . . . 0 CA--C 1.541 0.616 0 CA-C-O 121.414 0.626 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.19 171.17 20.25 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.701 1.6 . . . . 0.0 111.142 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.75 -170.5 2.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.834 1.254 . . . . 0.0 112.391 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -122.86 132.43 54.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 110.939 161.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.74 143.89 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.106 1.363 . . . . 0.0 109.851 170.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -137.09 140.83 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.974 0.909 . . . . 0.0 111.878 169.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 126.942 2.097 . . . . 0.0 110.673 -178.279 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.71 134.21 30.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.863 1.265 . . . . 0.0 110.557 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.14 108.44 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.963 1.305 . . . . 0.0 109.3 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.4 164.95 47.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.521 1.058 . . . . 0.0 113.978 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 55.45 35.12 24.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.865 1.666 . . . . 0.0 114.713 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -69.1 125.78 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.047 -1.033 . . . . 0.0 110.217 170.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.2 mt -90.11 -35.46 15.42 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.68 0.792 . . . . 0.0 111.608 171.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -155.75 156.36 34.69 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 t -139.69 150.83 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.339 1.855 . . . . 0.0 110.081 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -127.53 144.22 51.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.371 1.868 . . . . 0.0 110.782 170.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.88 129.72 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.131 0.972 . . . . 0.0 110.813 166.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -102.74 172.56 6.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.351 1.86 . . . . 0.0 110.548 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.87 61.06 0.95 Allowed Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.12 1.343 . . . . 0.0 113.923 174.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.66 5.32 1.73 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.907 1.718 . . . . 0.0 115.895 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.95 167.54 27.75 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.587 1.694 . . . . 0.0 112.856 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -124.79 154.42 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.044 0.938 . . . . 0.0 112.988 162.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -133.53 122.27 23.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.487 1.915 . . . . 0.0 110.098 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -110.73 136.72 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.066 2.146 . . . . 0.0 110.122 -173.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -127.75 127.84 44.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.62 0.768 . . . . 0.0 112.436 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -93.03 167.22 11.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.937 1.295 . . . . 0.0 113.722 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -53.27 -30.08 36.54 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.182 1.793 . . . . 0.0 113.255 171.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -85.23 10.08 13.38 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.749 1.62 . . . . 0.0 113.381 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 62.81 15.38 8.15 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.937 2.095 . . . . 0.0 114.902 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.33 139.5 39.78 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.322 -0.861 . . . . 0.0 111.275 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -113.93 138.12 50.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.066 1.347 . . . . 0.0 111.319 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -133.42 124.93 27.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.204 1.402 . . . . 0.0 109.751 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.91 139.98 50.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.848 0.859 . . . . 0.0 112.167 -173.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -138.51 93.6 11.06 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.11 1.364 . . . . 0.0 111.549 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -61.89 145.58 96.9 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.688 2.925 . . . . 0.0 112.445 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.2 86.75 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.792 1.187 . . . . 0.0 115.087 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.9 mt -105.94 160.33 15.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.895 1.278 . . . . 0.0 111.914 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.78 160.43 39.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.96 2.504 . . . . 0.0 110.558 172.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.2 115.49 15.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.442 0.697 . . . . 0.0 109.328 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.65 -38.47 4.69 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.086 1.327 . . . . 0.0 114.037 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -143.23 145.31 32.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.44 1.496 . . . . 0.0 111.731 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.69 121.09 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.783 1.233 . . . . 0.0 108.462 160.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -110.44 95.68 5.72 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.762 1.625 . . . . 0.0 109.842 174.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.11 -38.17 87.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.844 0.858 . . . . 0.0 111.522 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -66.01 -40.47 91.11 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.558 1.543 . . . . 0.0 112.988 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -88.94 -22.33 23.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.45 44.6 32.95 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.257 0.932 . . . . 0.0 113.043 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -134.92 142.2 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.732 1.213 . . . . 0.0 112.1 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.25 134.42 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.884 1.674 . . . . 0.0 108.1 170.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -121.27 132.24 54.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.021 0.928 . . . . 0.0 111.515 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.53 143.15 33.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.596 1.158 . . . . 0.0 111.72 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.42 157.52 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.129 1.772 . . . . 0.0 111.649 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 . . . . . 0 N--CA 1.473 0.677 0 C-N-CA 123.802 0.841 . . . . 0.0 112.574 -176.721 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.843 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.2 -176.65 3.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.531 1.133 . . . . 0.0 112.101 -172.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -113.39 146.05 40.13 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.791 0.836 . . . . 0.0 111.835 159.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.49 141.83 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 109.402 167.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.89 139.9 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.182 1.393 . . . . 0.0 110.659 167.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 124.861 1.264 . . . . 0.0 111.83 179.439 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -123.36 146.68 47.76 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.37 1.468 . . . . 0.0 112.139 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.6 mt -130.15 120.56 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.357 1.463 . . . . 0.0 108.427 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.97 165.64 30.65 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.094 0.854 . . . . 0.0 114.354 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 52.05 42.48 30.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.968 1.707 . . . . 0.0 114.401 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.4 123.11 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.126 1.771 . . . . 0.0 110.854 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.52 -33.32 20.34 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.267 1.427 . . . . 0.0 112.693 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -162.81 149.5 12.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.218 1.007 . . . . 0.0 113.207 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.8 t -132.2 133.89 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.897 2.079 . . . . 0.0 110.298 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.62 137.94 51.8 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.962 1.705 . . . . 0.0 110.747 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.11 124.19 41.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.462 0.705 . . . . 0.0 110.431 161.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -89.49 179.16 6.12 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.673 1.589 . . . . 0.0 111.42 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.73 -13.26 50.94 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.787 -1.195 . . . . 0.0 115.505 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.86 24.73 0.26 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.188 1.375 . . . . 0.0 115.035 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.35 169.28 24.36 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.84 1.32 . . . . 0.0 112.313 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -121.15 144.47 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.519 1.127 . . . . 0.0 110.962 167.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -122.09 145.81 47.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.615 1.966 . . . . 0.0 110.964 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.81 131.05 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.713 1.605 . . . . 0.0 110.24 -173.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -123.57 132.51 53.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.214 1.006 . . . . 0.0 112.068 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -100.75 166.5 10.84 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.618 1.167 . . . . 0.0 114.116 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 tp -53.93 -26.07 23.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.29 2.236 . . . . 0.0 113.962 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -103.53 21.96 15.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.107 1.363 . . . . 0.0 113.216 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t0 60.88 23.55 13.58 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.67 1.988 . . . . 0.0 115.01 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.29 148.27 27.47 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.966 -1.084 . . . . 0.0 110.629 166.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -128.6 136.41 50.66 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.489 1.116 . . . . 0.0 111.253 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -123.9 146.36 48.49 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.921 1.688 . . . . 0.0 109.591 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.39 140.68 37.49 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.875 0.87 . . . . 0.0 112.645 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.56 107.95 7.17 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 125.095 1.358 . . . . 0.0 111.637 -169.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.8 146.45 48.19 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.851 2.367 . . . . 0.0 112.248 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.74 4.07 84.67 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.421 1.486 . . . . 0.0 115.378 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 mt -91.07 164.21 14.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.751 1.275 . . . . 0.0 112.438 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.12 156.59 45.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.238 2.215 . . . . 0.0 110.615 165.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -73.22 110.39 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.26 -40.82 4.43 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.76 1.171 . . . . 0.0 114.203 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -144.87 148.33 33.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.754 1.222 . . . . 0.0 111.559 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -134.56 133.73 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.529 1.532 . . . . 0.0 109.022 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -143.55 97.12 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.35 1.46 . . . . 0.0 109.75 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.0 mt -77.68 -18.58 56.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.191 1.396 . . . . 0.0 112.908 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -70.88 -45.2 64.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.253 1.421 . . . . 0.0 110.164 173.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -82.91 -23.81 33.37 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.819 1.247 . . . . 0.0 113.3 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.04 43.17 14.33 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.231 1.396 . . . . 0.0 113.238 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.28 139.08 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.509 1.523 . . . . 0.0 112.07 -173.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 66.6 mt -124.54 130.67 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.619 1.968 . . . . 0.0 109.094 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -112.33 126.31 55.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.305 1.042 . . . . 0.0 111.066 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.23 145.52 27.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.304 1.041 . . . . 0.0 111.371 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.54 155.62 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.865 1.666 . . . . 0.0 111.121 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 . . . . . 0 N--CA 1.471 0.615 0 C-N-CA 124.246 1.018 . . . . 0.0 110.408 178.201 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 CA-C-O 118.999 -0.889 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -58.75 158.07 25.67 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.992 3.128 . . . . 0.0 114.8 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.37 118.93 5.68 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 124.086 0.851 . . . . 0.0 112.876 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 85.6 p -87.91 -10.15 51.47 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mmm -68.87 155.97 39.3 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.614 1.566 . . . . 0.0 113.721 -175.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.2 t -140.68 161.61 37.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.909 1.683 . . . . 0.0 110.376 165.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.59 163.95 31.43 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.813 1.645 . . . . 0.0 110.203 171.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.86 172.08 10.71 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.942 0.897 . . . . 0.0 112.558 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -100.86 152.06 20.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.526 0.73 . . . . 0.0 111.232 156.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.3 t -111.07 140.24 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.817 1.247 . . . . 0.0 109.321 166.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 p -128.76 138.1 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.959 1.303 . . . . 0.0 111.626 172.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.74 169.36 24.55 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.927 1.691 . . . . 0.0 111.249 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.3 m -131.7 132.3 43.81 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.769 0.828 . . . . 0.0 111.174 176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -69.92 162.64 27.62 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.338 1.455 . . . . 0.0 112.167 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.12 -23.01 67.25 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.185 0.994 . . . . 0.0 113.139 171.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -78.28 -1.88 35.25 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 125.349 1.46 . . . . 0.0 113.646 172.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.18 4.6 89.64 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.305 1.431 . . . . 0.0 114.494 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.49 123.09 6.61 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.373 0.987 . . . . 0.0 112.638 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -73.98 138.53 44.21 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.067 0.947 . . . . 0.0 111.074 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.3 t -134.4 140.75 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.465 1.506 . . . . 0.0 110.522 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -140.16 137.26 34.27 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.897 1.679 . . . . 0.0 110.674 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -127.72 125.35 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.449 1.499 . . . . 0.0 108.634 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.1 169.8 26.94 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.464 1.03 . . . . 0.0 114.301 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 54.41 35.05 22.2 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.698 1.599 . . . . 0.0 114.196 175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -72.87 125.84 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.609 1.164 . . . . 0.0 110.91 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -90.92 -41.97 10.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.61 1.964 . . . . 0.0 111.256 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -154.98 157.02 37.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.752 1.221 . . . . 0.0 112.837 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.0 139.15 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.114 1.766 . . . . 0.0 109.699 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -135.79 124.45 23.77 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.89 1.276 . . . . 0.0 110.985 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.44 109.71 20.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.347 1.059 . . . . 0.0 110.06 168.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -81.0 174.41 11.65 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.772 1.229 . . . . 0.0 111.177 168.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.01 42.28 0.6 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.645 1.593 . . . . 0.0 115.151 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.86 -1.01 0.09 OUTLIER Glycine 0 CA--C 1.539 1.573 0 C-N-CA 125.234 1.397 . . . . 0.0 116.443 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.07 155.55 29.46 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.599 1.56 . . . . 0.0 112.351 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.5 136.08 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 123.745 0.818 . . . . 0.0 110.97 166.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -113.21 143.58 44.14 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.718 2.007 . . . . 0.0 110.727 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.78 126.2 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 109.403 -174.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -121.43 132.73 54.9 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.215 1.006 . . . . 0.0 110.961 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.8 p -88.7 163.84 15.58 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 122.329 1.062 . . . . 0.0 113.419 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.1 tp -56.86 -24.9 54.91 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.411 2.284 . . . . 0.0 112.987 172.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -107.2 23.05 15.05 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.287 1.835 . . . . 0.0 113.196 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t0 62.02 28.72 17.4 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.704 2.001 . . . . 0.0 115.136 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.5 157.04 18.26 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 120.947 -1.095 . . . . 0.0 110.429 162.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -139.13 143.26 38.14 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.422 1.089 . . . . 0.0 112.383 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -129.78 149.18 51.63 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.877 2.071 . . . . 0.0 110.099 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 141.34 30.65 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.972 0.909 . . . . 0.0 112.659 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -141.29 105.05 6.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 125.316 1.446 . . . . 0.0 111.365 -168.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.99 147.09 60.63 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.665 2.243 . . . . 0.0 112.108 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.19 16.04 80.98 Favored Glycine 0 CA--C 1.535 1.296 0 N-CA-C 115.229 0.852 . . . . 0.0 115.229 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.2 mt -107.28 162.76 13.61 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 112.447 171.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.88 160.46 39.85 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.914 2.086 . . . . 0.0 109.965 166.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.4 mt -77.56 122.28 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.005 -1.059 . . . . 0.0 109.709 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.21 -44.78 2.71 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.724 1.631 . . . . 0.0 114.822 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -142.27 151.02 41.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.052 1.341 . . . . 0.0 112.814 176.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.2 t -137.47 106.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 126.139 1.775 . . . . 0.0 108.569 174.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -113.87 87.54 2.64 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.116 1.366 . . . . 0.0 110.349 -171.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.488 HD22 ' H ' ' A' ' 53' ' ' LEU . 2.1 mm? -63.87 -32.41 73.93 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.172 0.989 . . . . 0.0 111.941 -176.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.0 ttm105 -56.24 -35.47 67.42 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.0 1.32 . . . . 0.0 112.623 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -106.03 -18.18 14.11 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.587 1.555 . . . . 0.0 114.029 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.86 37.48 50.85 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.6 1.095 . . . . 0.0 113.546 -172.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.8 t -124.55 133.0 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.329 1.052 . . . . 0.0 111.975 -172.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.3 mt -119.43 133.0 67.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.445 1.498 . . . . 0.0 108.669 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -122.86 127.49 49.09 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.96 0.904 . . . . 0.0 111.244 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.4 mt -100.31 150.01 23.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.976 1.311 . . . . 0.0 112.199 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.99 157.82 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.444 1.898 . . . . 0.0 110.855 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -71.95 120.73 17.96 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.845 0.858 . . . . 0.0 111.727 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HG2' ' H ' ' A' ' 65' ' ' ASN . 46.1 tt0 -64.73 129.74 40.91 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.023 1.329 . . . . 0.0 112.016 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -99.6 5.74 45.88 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.82 1.248 . . . . 0.0 113.398 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.465 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 63.0 t30 -96.34 12.43 31.18 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.876 2.07 . . . . 0.0 113.689 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.129 1.772 . . . . 0.0 112.865 -175.881 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 CA-C-O 119.567 -0.574 . . . . 0.0 112.265 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -66.02 -19.36 57.72 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.994 3.129 . . . . 0.0 115.623 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 78.69 -166.71 52.36 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.525 1.06 . . . . 0.0 113.209 -172.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 33.4 t -68.81 122.5 18.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.611 0.764 . . . . 0.0 112.134 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm -160.76 168.35 24.96 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.789 2.036 . . . . 0.0 110.396 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.02 153.15 47.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.039 0.935 . . . . 0.0 111.833 168.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.8 ptm -157.0 159.77 38.35 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.988 2.115 . . . . 0.0 109.732 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -146.38 -178.55 6.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.716 0.807 . . . . 0.0 113.013 -169.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -122.03 142.5 50.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.753 1.221 . . . . 0.0 112.289 167.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -97.32 139.32 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.821 1.248 . . . . 0.0 109.894 174.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -126.35 141.29 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 125.163 1.385 . . . . 0.0 110.856 168.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -149.91 169.21 21.69 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.756 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.4 m -129.16 129.72 45.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.13 0.972 . . . . 0.0 110.993 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -69.9 165.73 21.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.689 1.595 . . . . 0.0 112.858 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.91 -25.79 67.0 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.219 1.008 . . . . 0.0 113.054 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -70.54 -9.4 56.65 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.965 1.706 . . . . 0.0 113.969 172.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.67 6.3 89.44 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.419 1.485 . . . . 0.0 114.27 -170.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.72 131.93 10.73 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.604 1.097 . . . . 0.0 112.784 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -76.44 143.48 40.53 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.524 -0.986 . . . . 0.0 111.426 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.0 t -137.34 142.02 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 126.259 1.824 . . . . 0.0 109.636 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.24 139.49 35.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.721 1.209 . . . . 0.0 111.62 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 69.0 mt -130.51 119.14 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.58 1.952 . . . . 0.0 109.602 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.3 168.21 36.55 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.386 0.993 . . . . 0.0 114.531 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 56.94 34.57 25.08 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.027 1.731 . . . . 0.0 115.18 171.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.68 133.26 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 126.33 1.852 . . . . 0.0 111.299 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 38.7 mt -107.44 -22.62 12.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.913 1.285 . . . . 0.0 113.863 174.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -155.22 151.66 28.39 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.9 t -134.35 137.67 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.823 2.049 . . . . 0.0 109.285 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -133.51 131.72 40.14 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.709 1.204 . . . . 0.0 111.453 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.78 110.39 21.73 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.785 0.834 . . . . 0.0 110.236 167.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.2 173.74 11.84 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.212 1.405 . . . . 0.0 111.285 169.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.84 43.43 0.78 Allowed Glycine 0 CA--C 1.544 1.858 0 C-N-CA 125.722 1.629 . . . . 0.0 115.413 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.19 -1.99 0.19 Allowed Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.925 1.25 . . . . 0.0 115.887 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.76 162.16 40.56 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.39 1.595 . . . . 0.0 112.295 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.89 134.87 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 123.508 0.723 . . . . 0.0 110.933 164.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -106.41 146.25 30.72 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 127.062 2.145 . . . . 0.0 111.0 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -138.44 133.46 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.122 1.769 . . . . 0.0 109.574 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -131.18 132.05 44.46 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 0.82 . . . . 0.0 112.345 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.3 p -91.31 167.66 12.14 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -53.96 -30.74 48.05 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.354 2.262 . . . . 0.0 113.111 169.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -96.52 18.47 14.02 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.172 1.389 . . . . 0.0 113.122 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 60.8 25.48 15.35 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.649 1.98 . . . . 0.0 114.734 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -81.02 126.75 31.79 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.155 -0.966 . . . . 0.0 109.302 166.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -104.59 138.13 41.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.223 1.009 . . . . 0.0 111.207 173.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.29 146.59 50.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.975 1.71 . . . . 0.0 109.343 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.47 140.48 30.38 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.631 0.772 . . . . 0.0 112.303 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.6 109.91 8.73 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 125.222 1.409 . . . . 0.0 111.378 -170.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -71.04 146.69 52.93 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.976 2.451 . . . . 0.0 112.381 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.28 7.54 87.77 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 124.941 1.258 . . . . 0.0 115.319 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.4 mt -93.86 164.99 12.9 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.084 1.442 . . . . 0.0 113.112 174.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.62 158.36 44.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.901 2.081 . . . . 0.0 110.566 166.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.4 mt -77.96 120.75 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 O-C-N 121.466 -0.771 . . . . 0.0 109.461 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.31 -51.14 1.62 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.934 1.254 . . . . 0.0 114.471 -172.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -145.92 148.23 32.58 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.755 1.222 . . . . 0.0 112.013 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.25 135.45 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.613 1.965 . . . . 0.0 109.128 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -139.46 111.26 7.27 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.054 1.342 . . . . 0.0 110.316 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -84.94 -20.61 30.38 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.452 1.101 . . . . 0.0 112.485 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -69.11 -49.84 53.48 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.162 1.385 . . . . 0.0 110.425 171.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.8 m -82.64 -23.27 34.34 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.32 48.61 29.98 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.928 0.775 . . . . 0.0 112.339 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 97.0 t -133.98 140.44 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.716 1.207 . . . . 0.0 111.374 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.76 133.77 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.601 1.56 . . . . 0.0 109.479 167.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -114.51 126.91 55.47 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.676 1.19 . . . . 0.0 111.258 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.7 151.27 20.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.088 1.355 . . . . 0.0 111.831 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.43 158.48 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.671 1.588 . . . . 0.0 110.537 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -77.56 120.92 23.19 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.902 0.881 . . . . 0.0 110.883 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.23 146.0 45.79 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.273 1.429 . . . . 0.0 111.832 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -120.36 5.7 10.69 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -168.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -82.79 -31.03 28.44 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.517 1.127 . . . . 0.0 111.294 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 126.899 2.08 . . . . 0.0 114.088 172.154 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 119.923 -0.376 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -65.18 -17.91 59.9 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 124.099 3.2 . . . . 0.0 116.168 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 80.21 -169.1 52.52 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.425 1.012 . . . . 0.0 113.103 -172.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 40.9 m -63.8 132.07 49.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.196 0.999 . . . . 0.0 112.853 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm -89.76 159.76 16.88 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.199 1.4 . . . . 0.0 112.806 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t -138.91 146.58 41.26 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.13 1.372 . . . . 0.0 110.381 164.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.75 164.56 30.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.635 1.574 . . . . 0.0 110.574 170.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.78 -175.69 4.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.424 1.089 . . . . 0.0 111.6 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -120.19 145.38 47.04 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.803 0.841 . . . . 0.0 112.716 164.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.6 t -90.12 145.12 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.341 1.056 . . . . 0.0 110.369 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.19 137.8 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.102 1.361 . . . . 0.0 110.748 169.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -149.01 161.77 41.25 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.483 1.913 . . . . 0.0 110.464 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 m -133.47 132.26 40.85 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.218 0.607 . . . . 0.0 111.201 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -68.24 162.95 23.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.422 1.489 . . . . 0.0 112.987 177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.37 -27.06 68.8 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.196 0.998 . . . . 0.0 113.274 172.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -75.56 -4.8 41.95 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.257 1.423 . . . . 0.0 113.659 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.36 6.85 80.51 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.783 1.659 . . . . 0.0 114.512 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.49 120.32 5.16 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 118.416 1.108 . . . . 0.0 112.259 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.7 ttp-105 -78.64 145.27 34.74 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.732 0.813 . . . . 0.0 111.953 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.4 t -134.06 138.74 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 126.643 1.977 . . . . 0.0 109.653 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -136.71 146.2 45.58 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.911 1.285 . . . . 0.0 112.137 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.9 mt -130.46 120.55 48.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.86 1.664 . . . . 0.0 108.565 178.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.85 173.8 38.54 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.176 0.893 . . . . 0.0 114.452 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 55.8 35.84 26.14 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.052 1.741 . . . . 0.0 114.319 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -77.19 127.62 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.618 1.567 . . . . 0.0 111.975 -174.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.7 mt -90.21 -31.89 16.83 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.581 1.552 . . . . 0.0 112.974 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -155.78 151.89 27.79 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.7 137.82 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 127.322 2.249 . . . . 0.0 109.019 174.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -146.19 122.88 11.18 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.456 0.702 . . . . 0.0 112.81 -175.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 139.04 36.51 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.56 0.695 . . . . 0.0 109.803 161.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -132.73 -169.49 2.26 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.566 1.946 . . . . 0.0 110.517 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.26 -12.71 25.52 Favored Glycine 0 CA--C 1.541 1.688 0 N-CA-C 117.184 1.633 . . . . 0.0 117.184 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.82 20.84 0.1 Allowed Glycine 0 CA--C 1.536 1.388 0 CA-C-N 119.107 1.453 . . . . 0.0 115.542 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.25 165.61 31.11 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.734 1.214 . . . . 0.0 112.021 -172.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.3 t -107.84 140.24 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.396 0.678 . . . . 0.0 110.334 158.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -121.61 147.76 45.43 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.309 1.444 . . . . 0.0 111.371 173.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.6 t -138.51 126.81 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.835 1.654 . . . . 0.0 109.864 -169.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.8 m -121.72 133.08 54.94 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.76 0.824 . . . . 0.0 111.461 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 34.4 p -97.88 168.29 10.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.242 1.417 . . . . 0.0 114.207 -175.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.78 -25.03 17.23 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.934 2.493 . . . . 0.0 114.334 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.3 17.73 23.49 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.344 1.458 . . . . 0.0 113.276 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 62.01 14.21 6.28 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.382 2.273 . . . . 0.0 114.983 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -76.32 145.63 39.41 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.758 -1.214 . . . . 0.0 110.391 165.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -132.39 143.99 50.21 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.313 1.045 . . . . 0.0 111.765 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -124.41 150.03 46.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.818 1.647 . . . . 0.0 110.236 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.68 35.68 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.737 1.215 . . . . 0.0 111.797 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -138.73 102.2 7.82 Favored Pre-proline 0 N--CA 1.471 0.616 0 C-N-CA 125.403 1.481 . . . . 0.0 110.844 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -67.66 144.37 65.79 Favored 'Trans proline' 0 CA--C 1.536 0.577 0 C-N-CA 122.678 2.252 . . . . 0.0 112.021 178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.06 15.75 81.35 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.371 0.986 . . . . 0.0 115.34 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.4 mt -105.88 164.06 12.24 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.989 1.394 . . . . 0.0 112.817 171.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.4 163.92 31.73 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.837 2.455 . . . . 0.0 109.957 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.6 mt -79.98 124.72 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.35 -40.34 3.25 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.768 1.175 . . . . 0.0 114.301 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.5 mtm-85 -142.96 151.8 41.3 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.187 0.995 . . . . 0.0 112.645 176.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -123.66 107.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 126.266 1.826 . . . . 0.0 107.307 164.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -104.44 61.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.724 2.01 . . . . 0.0 109.646 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.68 -21.9 66.85 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.993 1.317 . . . . 0.0 113.342 -172.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.0 ttm-85 -54.64 -30.55 55.43 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.3 1.84 . . . . 0.0 112.691 167.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.6 m -115.3 -2.22 12.72 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.44 41.99 65.56 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.31 0.957 . . . . 0.0 113.996 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.9 t -129.37 141.98 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 118.903 1.351 . . . . 0.0 112.114 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.94 128.63 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.592 1.557 . . . . 0.0 109.502 171.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 m -110.11 129.56 55.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.594 1.157 . . . . 0.0 111.361 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.1 mt -99.99 153.81 18.89 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.423 1.089 . . . . 0.0 112.598 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.71 159.46 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 126.397 1.879 . . . . 0.0 111.084 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -72.09 126.1 28.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.493 1.117 . . . . 0.0 112.21 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -82.95 129.92 35.08 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.875 1.27 . . . . 0.0 113.077 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.1 31.59 1.57 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.248 1.819 . . . . 0.0 111.771 169.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -70.88 -34.57 71.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.471 1.909 . . . . 0.0 112.225 173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.008 1.723 . . . . 0.0 114.287 -177.213 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 CA-C-O 119.819 -0.434 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.78 158.12 59.1 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.136 3.224 . . . . 0.0 112.81 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -75.95 -6.75 83.09 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.856 1.217 . . . . 0.0 115.912 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 44.2 m 55.85 36.9 28.16 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.628 1.571 . . . . 0.0 114.01 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 80.1 mtp -67.33 143.99 56.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.548 1.139 . . . . 0.0 113.295 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 95.9 m -143.01 171.45 14.04 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 127.009 2.124 . . . . 0.0 109.399 162.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 24.2 ptt? -139.78 155.73 47.14 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.251 0.62 . . . . 0.0 111.602 168.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.52 178.05 7.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.533 1.533 . . . . 0.0 111.707 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -109.97 141.71 42.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.276 0.631 . . . . 0.0 111.952 162.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.57 146.4 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.188 0.995 . . . . 0.0 110.54 167.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.97 134.59 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.53 1.132 . . . . 0.0 111.566 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -150.47 164.87 34.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.487 1.915 . . . . 0.0 110.661 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 30.0 m -137.28 132.82 34.26 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.806 0.842 . . . . 0.0 110.977 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.82 163.24 17.19 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.165 1.786 . . . . 0.0 112.936 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -26.73 68.31 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.16 0.984 . . . . 0.0 112.645 170.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -76.38 -4.26 41.36 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.075 1.75 . . . . 0.0 114.142 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.42 7.27 82.7 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.46 1.505 . . . . 0.0 114.585 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.91 114.15 3.91 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 118.606 1.203 . . . . 0.0 112.519 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -76.19 139.88 41.43 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.019 0.91 . . . . 0.0 111.204 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -136.08 136.63 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.747 2.019 . . . . 0.0 110.088 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -137.81 147.08 44.28 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.2 1.0 . . . . 0.0 111.838 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.1 mt -129.93 121.69 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.484 1.514 . . . . 0.0 108.437 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 167.73 37.75 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.193 0.901 . . . . 0.0 114.507 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 55.27 35.87 25.83 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.963 1.705 . . . . 0.0 113.891 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -74.65 133.89 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.978 1.711 . . . . 0.0 111.276 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 41.2 mt -109.21 -22.07 12.27 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.308 1.443 . . . . 0.0 114.028 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -154.89 151.88 29.1 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.647 1.112 . . . . 0.0 113.763 168.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.2 t -137.29 130.49 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.641 1.976 . . . . 0.0 108.402 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -141.18 127.59 19.92 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 118.584 0.629 . . . . 0.0 111.717 -170.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.46 147.29 29.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.987 0.915 . . . . 0.0 111.644 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -134.18 -175.45 3.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 127.045 2.138 . . . . 0.0 110.304 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.42 77.0 0.19 Allowed Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 113.73 177.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.35 14.94 24.64 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.671 1.605 . . . . 0.0 115.541 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.06 166.31 33.67 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.431 1.616 . . . . 0.0 113.557 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 45.7 t -122.29 136.95 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 125.643 1.577 . . . . 0.0 111.179 166.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -107.56 150.27 27.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.162 2.185 . . . . 0.0 111.248 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.45 133.09 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 126.496 1.918 . . . . 0.0 109.745 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -135.5 138.39 43.07 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.002 0.819 . . . . 0.0 112.87 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.5 p -98.86 170.47 8.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -172.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -54.43 -25.95 27.95 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.512 2.325 . . . . 0.0 113.934 169.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -104.06 17.26 24.48 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.384 1.474 . . . . 0.0 112.948 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 59.96 22.93 12.02 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.923 2.089 . . . . 0.0 114.846 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -74.16 136.41 42.86 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.165 -0.959 . . . . 0.0 109.63 166.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -115.95 139.38 50.3 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.985 0.914 . . . . 0.0 111.468 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -131.4 148.04 52.62 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.344 1.858 . . . . 0.0 109.666 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.95 143.85 32.14 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -138.89 113.93 8.46 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.226 1.411 . . . . 0.0 110.796 -171.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.95 149.15 41.54 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.869 2.379 . . . . 0.0 112.172 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.59 12.18 84.75 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.941 1.257 . . . . 0.0 115.416 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 60.7 mt -107.5 164.0 12.58 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.971 1.308 . . . . 0.0 112.97 175.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.74 163.29 33.0 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.693 2.397 . . . . 0.0 110.412 168.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 57.0 mt -78.91 125.33 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 121.066 -1.021 . . . . 0.0 109.427 177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.37 -65.03 0.9 Allowed Glycine 0 N--CA 1.47 0.932 0 C-N-CA 124.459 1.028 . . . . 0.0 113.616 -175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -143.13 150.59 39.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.396 1.079 . . . . 0.0 112.188 -175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.45 110.84 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 126.027 1.731 . . . . 0.0 109.559 -168.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -105.75 100.23 9.8 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.622 1.169 . . . . 0.0 110.374 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.433 ' H ' HD22 ' B' ' 53' ' ' LEU . 2.2 mm? -66.94 -35.35 79.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.624 -0.672 . . . . 0.0 110.432 169.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -58.83 -28.29 65.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.408 1.883 . . . . 0.0 114.302 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 40.7 m -121.17 -12.15 8.73 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.48 43.61 44.34 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.664 1.126 . . . . 0.0 113.647 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.7 t -133.44 137.27 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 118.59 1.195 . . . . 0.0 112.335 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.26 111.46 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.161 1.785 . . . . 0.0 108.568 173.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.0 t -99.34 127.12 45.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.823 1.249 . . . . 0.0 111.708 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.29 150.36 23.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.596 1.558 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.93 158.07 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.741 1.617 . . . . 0.0 111.806 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.78 125.49 28.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.446 0.698 . . . . 0.0 111.941 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.449 ' HG2' ' H ' ' B' ' 65' ' ' ASN . 34.9 tt0 -91.09 145.66 24.5 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.49 1.916 . . . . 0.0 112.889 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -123.76 1.18 8.76 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.942 2.097 . . . . 0.0 113.516 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . 0.449 ' H ' ' HG2' ' B' ' 63' ' ' GLU . 46.0 t-20 -66.59 -35.85 81.19 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.333 1.853 . . . . 0.0 113.293 -173.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.996 1.718 . . . . 0.0 111.865 -175.049 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 CA-C-O 119.723 -0.487 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -64.15 -24.14 66.26 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.896 3.064 . . . . 0.0 115.901 -175.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 62.79 -122.52 28.03 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 121.041 -1.037 . . . . 0.0 112.622 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 79.2 p -73.83 -11.12 60.28 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mtp -64.21 154.95 33.36 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.017 0.826 . . . . 0.0 113.229 176.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.3 t -130.82 156.4 45.07 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.311 1.844 . . . . 0.0 109.832 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -147.71 160.81 42.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.929 1.692 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.9 168.35 18.02 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -106.82 117.4 33.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.099 1.759 . . . . 0.0 110.745 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.3 t -78.98 141.36 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 122.988 0.515 . . . . 0.0 109.96 168.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 p -140.76 139.87 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.871 1.269 . . . . 0.0 112.553 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -151.06 163.38 38.9 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.517 2.327 . . . . 0.0 110.953 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.2 m -136.59 131.4 33.72 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.726 0.81 . . . . 0.0 111.904 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -71.41 160.12 33.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.668 1.587 . . . . 0.0 112.823 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -24.73 67.94 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.153 0.981 . . . . 0.0 113.12 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -74.08 -4.46 35.69 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.383 1.473 . . . . 0.0 113.624 171.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 4.28 78.01 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.649 1.595 . . . . 0.0 114.461 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.84 113.65 3.71 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-N 118.877 1.339 . . . . 0.0 112.445 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -74.94 141.0 44.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.459 1.103 . . . . 0.0 111.287 174.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -135.58 136.95 50.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.26 1.824 . . . . 0.0 109.245 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -142.05 152.88 43.77 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.079 0.952 . . . . 0.0 113.039 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.9 mt -132.54 120.17 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 126.074 1.75 . . . . 0.0 108.333 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.94 175.53 41.76 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.632 1.111 . . . . 0.0 114.165 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 57.03 30.94 19.06 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.046 1.738 . . . . 0.0 114.162 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -76.14 125.33 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.462 1.105 . . . . 0.0 110.973 -175.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.9 mt -99.0 -20.41 16.76 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 174.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -152.74 153.14 32.61 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.669 1.122 . . . . 0.0 113.83 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.0 m -134.55 151.24 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.214 1.406 . . . . 0.0 111.199 168.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.9 mtm105 -138.24 126.92 23.6 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.034 1.734 . . . . 0.0 110.488 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.4 106.62 18.57 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.46 1.104 . . . . 0.0 108.914 166.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -107.77 -170.04 1.62 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.348 1.859 . . . . 0.0 112.115 -169.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.33 75.6 0.19 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.732 1.634 . . . . 0.0 114.092 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.43 12.53 51.02 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.857 1.694 . . . . 0.0 115.469 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.05 153.27 25.71 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.056 1.428 . . . . 0.0 112.412 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.4 t -98.15 140.1 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.616 0.766 . . . . 0.0 110.554 164.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -122.22 149.26 43.92 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.352 1.461 . . . . 0.0 111.871 171.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.1 t -142.08 131.08 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.399 1.88 . . . . 0.0 109.265 -166.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.8 m -131.74 132.75 44.11 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.751 1.16 . . . . 0.0 112.711 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 p -84.48 172.18 11.91 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.26 -24.91 3.2 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.423 2.289 . . . . 0.0 114.04 165.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -104.57 16.94 25.08 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 112.786 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 61.11 18.81 9.39 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.705 2.002 . . . . 0.0 115.25 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.64 119.02 21.31 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.024 -1.048 . . . . 0.0 109.997 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -96.33 140.34 31.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.8 0.84 . . . . 0.0 112.799 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -125.58 151.23 46.7 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.799 2.04 . . . . 0.0 109.907 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -138.46 140.73 39.36 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.959 0.904 . . . . 0.0 112.844 -175.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -139.02 105.03 7.32 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 125.211 1.405 . . . . 0.0 111.066 -175.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.2 149.39 57.69 Favored 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.129 2.553 . . . . 0.0 112.593 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.57 10.29 85.84 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.745 1.164 . . . . 0.0 115.519 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.5 mt -105.31 163.06 12.9 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.933 1.366 . . . . 0.0 112.197 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.05 161.5 35.9 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.186 2.194 . . . . 0.0 110.003 165.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -76.68 118.66 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.94 -42.46 5.34 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.958 1.266 . . . . 0.0 113.358 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -143.16 155.21 44.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.983 . . . . 0.0 112.855 173.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.57 115.34 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.122 1.769 . . . . 0.0 107.089 168.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -131.11 97.45 4.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.476 1.111 . . . . 0.0 110.364 -169.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -80.16 -24.66 40.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.422 1.489 . . . . 0.0 112.066 -173.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.07 -46.03 89.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.549 1.539 . . . . 0.0 110.567 169.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -77.44 -32.92 54.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.146 0.978 . . . . 0.0 112.804 174.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.67 29.04 40.6 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.307 1.432 . . . . 0.0 113.067 -171.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.1 t -133.02 144.38 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.337 1.455 . . . . 0.0 111.922 -169.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.06 110.47 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.905 1.682 . . . . 0.0 109.032 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.7 m -86.78 120.17 27.79 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.921 1.289 . . . . 0.0 110.493 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -93.81 153.2 18.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.425 0.69 . . . . 0.0 112.34 171.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.25 159.11 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.296 1.839 . . . . 0.0 111.2 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -72.78 122.55 21.73 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.393 1.077 . . . . 0.0 111.942 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -77.02 151.13 35.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.854 1.262 . . . . 0.0 112.397 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.99 32.59 1.97 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.09 1.756 . . . . 0.0 112.504 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -72.56 -28.48 62.85 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.975 1.31 . . . . 0.0 113.333 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 126.531 1.932 . . . . 0.0 113.154 -175.696 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 CA-C-O 119.859 -0.412 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -56.87 145.32 84.79 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 124.237 3.291 . . . . 0.0 114.189 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 79.61 -12.58 27.22 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.931 1.253 . . . . 0.0 115.516 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 32.4 t -69.34 -37.13 77.54 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.226 1.513 . . . . 0.0 111.949 172.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm -155.53 170.41 22.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.351 1.861 . . . . 0.0 110.963 171.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 31.2 t -143.44 157.26 44.6 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.135 1.374 . . . . 0.0 109.825 168.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -143.58 169.48 17.63 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.608 1.563 . . . . 0.0 111.565 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.18 165.19 25.35 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.94 1.296 . . . . 0.0 114.143 -172.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -124.21 126.73 46.61 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.202 1.801 . . . . 0.0 109.672 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 79.5 t -95.81 142.0 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.029 1.332 . . . . 0.0 110.096 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -130.76 138.0 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.679 1.592 . . . . 0.0 110.878 167.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -148.43 159.68 43.79 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.47 1.508 . . . . 0.0 111.439 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 50.1 m -134.43 127.92 32.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.9 0.88 . . . . 0.0 110.331 170.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.09 163.07 20.88 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.365 1.466 . . . . 0.0 112.102 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.09 -26.08 68.07 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.776 0.831 . . . . 0.0 112.75 170.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.39 -4.37 39.04 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.36 1.464 . . . . 0.0 113.571 171.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.8 7.17 78.67 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.541 1.544 . . . . 0.0 114.993 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.64 112.91 3.54 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 118.352 1.076 . . . . 0.0 112.464 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -79.26 136.3 37.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.351 1.06 . . . . 0.0 111.272 174.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.6 t -136.38 142.04 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.88 1.672 . . . . 0.0 110.728 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -137.33 145.19 43.09 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.924 1.29 . . . . 0.0 111.796 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 65.6 mt -139.3 119.65 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.319 1.448 . . . . 0.0 109.582 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.06 -179.91 41.27 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.567 1.08 . . . . 0.0 113.562 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 59.57 28.57 18.01 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 173.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.7 t -81.26 135.12 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.449 1.5 . . . . 0.0 111.174 -175.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.3 mt -99.37 -34.9 10.11 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 170.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -150.82 158.48 44.2 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.6 t -132.7 139.92 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.976 2.111 . . . . 0.0 108.847 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -131.27 135.66 47.51 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.109 1.364 . . . . 0.0 111.855 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.44 145.79 24.54 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.826 1.25 . . . . 0.0 111.85 170.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -128.1 173.08 10.39 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.491 1.917 . . . . 0.0 110.288 168.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.58 40.02 0.5 Allowed Glycine 0 CA--C 1.539 1.584 0 C-N-CA 126.209 1.862 . . . . 0.0 115.476 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.9 8.53 0.06 OUTLIER Glycine 0 CA--C 1.54 1.615 0 C-N-CA 126.111 1.815 . . . . 0.0 115.456 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.05 164.11 33.41 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.985 1.893 . . . . 0.0 113.136 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.7 t -119.94 145.9 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.773 1.229 . . . . 0.0 110.994 163.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -124.96 143.88 50.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.699 1.999 . . . . 0.0 110.564 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t -132.87 132.92 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.272 1.829 . . . . 0.0 110.006 -171.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 93.4 m -127.93 127.16 42.83 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 124.196 0.998 . . . . 0.0 112.24 -174.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -91.44 165.79 13.21 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.748 1.219 . . . . 0.0 113.906 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.39 -17.11 64.59 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 172.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -84.37 4.81 29.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.002 1.321 . . . . 0.0 113.2 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t0 60.14 27.28 16.73 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.574 1.95 . . . . 0.0 114.081 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -82.85 153.52 25.11 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.915 -1.115 . . . . 0.0 110.688 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -129.25 141.03 51.24 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.127 0.971 . . . . 0.0 112.219 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -128.14 149.06 50.58 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.318 1.847 . . . . 0.0 109.728 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.61 141.6 31.98 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.153 0.981 . . . . 0.0 113.035 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -140.66 100.27 6.76 Favored Pre-proline 0 CA--C 1.54 0.582 0 C-N-CA 125.551 1.541 . . . . 0.0 111.272 -170.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -62.08 149.01 92.07 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.747 2.965 . . . . 0.0 113.374 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.34 3.91 90.55 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.688 1.613 . . . . 0.0 115.45 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.1 mt -101.91 165.14 11.35 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.705 1.252 . . . . 0.0 113.627 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.63 157.38 45.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.327 2.251 . . . . 0.0 110.257 165.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 67.6 mt -71.48 114.69 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.07 -49.5 2.07 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.418 1.008 . . . . 0.0 113.71 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -148.92 150.49 33.02 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.659 1.184 . . . . 0.0 111.859 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 5.2 t -131.0 132.15 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.488 1.115 . . . . 0.0 110.329 166.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -108.78 99.86 9.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.807 1.243 . . . . 0.0 108.871 163.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.89 -23.04 67.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.086 0.955 . . . . 0.0 112.654 -176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -55.22 -28.9 56.37 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.716 1.607 . . . . 0.0 113.462 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 11.9 t -133.62 10.07 3.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.625 1.97 . . . . 0.0 112.687 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.43 26.65 68.34 Favored Glycine 0 CA--C 1.535 1.287 0 O-C-N 120.563 -1.336 . . . . 0.0 114.515 -177.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 98.8 t -81.69 118.72 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.534 1.667 . . . . 0.0 110.075 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -106.54 122.23 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.629 1.571 . . . . 0.0 109.095 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.5 t -106.47 122.97 47.36 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.5 mt -95.73 147.49 23.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 111.45 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -130.08 159.37 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.108 1.763 . . . . 0.0 110.863 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.67 120.09 17.8 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.363 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.83 139.57 50.94 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.921 1.288 . . . . 0.0 112.429 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -107.24 13.99 26.62 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -164.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -106.12 8.63 32.26 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 125.76 1.624 . . . . 0.0 113.081 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 C--O 1.252 1.236 0 C-N-CA 125.843 1.657 . . . . 0.0 113.183 178.874 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -72.07 -19.61 26.2 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 124.455 3.437 . . . . 0.0 114.12 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.22 157.88 30.33 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.12 1.343 . . . . 0.0 113.165 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.1 t -75.0 153.82 38.35 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.303 1.041 . . . . 0.0 112.569 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.5 mtp -133.8 156.66 47.61 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.346 1.858 . . . . 0.0 112.008 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.0 m -133.1 144.52 50.02 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.508 1.523 . . . . 0.0 110.346 172.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -153.5 168.46 26.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.157 1.383 . . . . 0.0 111.676 -174.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 173.43 11.54 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.252 1.421 . . . . 0.0 112.459 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -103.55 137.34 41.76 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.593 1.157 . . . . 0.0 110.87 162.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.0 t -94.74 140.46 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.278 1.031 . . . . 0.0 109.932 169.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.7 p -135.79 140.87 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.821 1.248 . . . . 0.0 110.809 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -151.94 158.34 43.02 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 112.333 -174.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 m -132.13 119.3 20.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.424 1.09 . . . . 0.0 108.98 165.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -65.85 161.14 21.72 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.891 1.276 . . . . 0.0 112.469 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.57 -26.84 67.25 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.196 0.999 . . . . 0.0 113.268 173.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -76.73 -3.19 36.82 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.976 1.71 . . . . 0.0 113.772 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.4 4.49 76.96 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.575 1.56 . . . . 0.0 114.597 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.6 110.44 3.04 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 118.72 1.26 . . . . 0.0 112.776 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -86.02 135.59 33.58 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.798 1.239 . . . . 0.0 111.949 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -139.73 148.06 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 124.98 1.312 . . . . 0.0 111.01 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -140.21 134.8 31.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.792 1.637 . . . . 0.0 109.961 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.32 123.05 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.205 1.402 . . . . 0.0 109.57 -175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.17 169.18 34.53 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.169 0.89 . . . . 0.0 113.994 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 57.33 32.68 22.15 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.839 1.656 . . . . 0.0 114.775 171.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.62 125.35 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.918 1.687 . . . . 0.0 111.225 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.97 -27.29 17.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.317 1.047 . . . . 0.0 113.269 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -158.57 146.91 18.47 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.03 141.08 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 126.465 1.906 . . . . 0.0 110.779 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -138.89 127.33 23.0 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.636 1.174 . . . . 0.0 112.553 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.53 121.51 38.43 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.866 1.266 . . . . 0.0 110.593 173.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -106.15 12.39 30.26 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -165.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.33 29.78 63.63 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 124.273 0.939 . . . . 0.0 113.431 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.73 -19.34 0.05 OUTLIER Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.796 1.665 . . . . 0.0 113.883 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.22 159.31 41.28 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.18 1.792 . . . . 0.0 110.645 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -104.68 138.71 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.427 0.691 . . . . 0.0 110.894 164.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -112.11 145.53 39.61 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.857 2.063 . . . . 0.0 110.803 171.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -138.82 134.34 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.877 2.071 . . . . 0.0 109.205 -172.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 84.4 m -133.96 129.48 36.31 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.824 1.193 . . . . 0.0 112.765 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.4 p -84.69 169.96 13.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.51 1.524 . . . . 0.0 113.401 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.24 -11.93 46.23 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 172.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.83 4.57 32.5 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.936 1.294 . . . . 0.0 112.934 170.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 60.58 18.53 8.46 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.126 2.17 . . . . 0.0 114.544 -172.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -79.86 116.66 20.14 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.387 -0.821 . . . . 0.0 110.643 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -86.6 141.06 29.27 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.493 0.717 . . . . 0.0 112.302 175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -126.46 150.27 48.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.154 2.182 . . . . 0.0 109.232 171.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.52 142.34 29.11 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.36 0.664 . . . . 0.0 112.677 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -140.88 111.93 6.8 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.067 1.347 . . . . 0.0 111.093 -169.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -75.16 149.06 35.52 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.554 2.836 . . . . 0.0 112.93 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.18 8.74 87.37 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.994 1.283 . . . . 0.0 115.221 174.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.4 mt -103.67 163.92 12.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.805 1.242 . . . . 0.0 113.17 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.71 161.45 37.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.234 2.213 . . . . 0.0 109.805 166.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.24 116.85 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.8 -41.87 4.28 Favored Glycine 0 N--CA 1.471 1.002 0 C-N-CA 124.606 1.098 . . . . 0.0 113.96 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -149.94 144.35 25.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.619 1.167 . . . . 0.0 111.522 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.3 t -128.17 121.57 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.015 1.726 . . . . 0.0 108.488 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -117.69 103.58 10.16 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.305 1.442 . . . . 0.0 109.557 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.43 -22.81 40.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.559 1.544 . . . . 0.0 112.438 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.72 -54.23 7.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.334 1.054 . . . . 0.0 109.689 175.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -81.1 -17.85 48.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.77 46.01 25.61 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.68 1.133 . . . . 0.0 113.026 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.7 139.91 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.033 1.333 . . . . 0.0 111.29 -174.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -126.57 128.16 70.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.974 1.71 . . . . 0.0 108.781 175.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.8 m -116.71 124.62 50.12 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.603 1.161 . . . . 0.0 110.68 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.04 150.32 21.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.968 0.907 . . . . 0.0 111.821 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.54 161.57 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 126.098 1.759 . . . . 0.0 111.209 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -72.91 118.8 16.3 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.638 0.775 . . . . 0.0 111.074 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' HG2' ' H ' ' A' ' 65' ' ' ASN . 42.2 tt0 -64.47 127.77 32.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.033 0.933 . . . . 0.0 112.968 -172.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -87.16 2.37 50.14 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 7.1 t-20 -75.79 -14.81 60.31 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 126.32 1.848 . . . . 0.0 114.079 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 126.361 1.864 . . . . 0.0 114.138 -177.091 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 CA-C-O 119.456 -0.635 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.49 161.62 20.1 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 124.302 3.335 . . . . 0.0 114.355 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.28 0.01 89.34 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.799 1.19 . . . . 0.0 115.407 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 96.7 p -77.08 -1.16 27.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.837 1.655 . . . . 0.0 114.36 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm -159.4 158.31 31.91 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.579 1.952 . . . . 0.0 111.868 -173.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 18.8 m -136.66 46.64 2.22 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.621 1.968 . . . . 0.0 111.651 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -53.63 141.45 25.94 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -173.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.26 -179.31 3.74 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.879 1.272 . . . . 0.0 113.031 -169.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -115.37 142.96 45.99 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.042 1.337 . . . . 0.0 111.186 159.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 62.5 t -101.22 145.15 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.467 1.507 . . . . 0.0 109.97 171.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 15.0 p -134.87 142.92 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.329 1.452 . . . . 0.0 111.468 170.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -149.78 154.44 38.47 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.682 1.593 . . . . 0.0 111.889 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -115.53 134.3 55.2 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.067 1.347 . . . . 0.0 111.022 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -77.69 157.22 30.22 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.957 1.703 . . . . 0.0 112.197 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.14 67.29 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.909 0.884 . . . . 0.0 112.866 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.77 -3.62 35.94 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.793 1.637 . . . . 0.0 114.04 173.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.75 6.92 86.59 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.284 1.421 . . . . 0.0 114.669 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.21 171.85 55.05 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.635 1.112 . . . . 0.0 112.532 171.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -140.81 146.68 37.93 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.28 1.032 . . . . 0.0 111.635 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.38 139.09 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.636 1.574 . . . . 0.0 110.053 -176.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mp0 -122.0 150.02 42.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.276 1.43 . . . . 0.0 111.327 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.7 mt -131.46 124.69 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.767 1.627 . . . . 0.0 108.314 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.78 170.1 27.65 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.709 1.147 . . . . 0.0 114.276 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 54.54 39.54 31.21 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.043 1.737 . . . . 0.0 114.053 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.1 t -78.4 119.91 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.581 1.552 . . . . 0.0 111.69 -174.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 60.9 mt -83.07 -34.1 26.26 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.826 1.251 . . . . 0.0 112.716 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -156.36 155.02 31.47 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 27.8 t -128.56 134.59 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 126.8 2.04 . . . . 0.0 108.862 174.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.8 mtm105 -134.78 122.72 22.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.537 1.535 . . . . 0.0 111.061 -168.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.54 138.67 32.9 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.182 0.993 . . . . 0.0 111.313 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -103.98 13.96 31.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.958 1.703 . . . . 0.0 112.527 174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.93 -32.55 1.96 Allowed Glycine 0 CA--C 1.54 1.654 0 C-N-CA 126.069 1.795 . . . . 0.0 115.017 -176.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.26 6.07 11.96 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 126.38 1.943 . . . . 0.0 114.484 173.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.29 165.62 33.05 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.082 1.753 . . . . 0.0 111.746 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 86.0 t -127.17 144.32 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 124.575 1.15 . . . . 0.0 111.553 170.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -130.15 148.24 51.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 127.093 2.157 . . . . 0.0 110.652 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -136.48 132.01 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.295 1.438 . . . . 0.0 110.271 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -115.44 127.57 55.43 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.466 1.107 . . . . 0.0 111.941 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -89.85 167.33 12.93 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.26 -28.98 30.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.954 2.102 . . . . 0.0 113.525 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -99.05 18.65 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.266 1.426 . . . . 0.0 113.781 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 62.28 13.9 6.32 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.772 2.029 . . . . 0.0 115.532 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -72.9 132.91 44.09 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 120.788 -1.195 . . . . 0.0 110.007 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -104.65 139.59 39.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.337 1.055 . . . . 0.0 111.828 172.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -117.37 150.86 38.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.751 1.621 . . . . 0.0 109.917 168.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.28 140.91 28.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.041 0.936 . . . . 0.0 112.484 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -142.89 100.6 5.44 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.928 1.291 . . . . 0.0 111.066 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.47 146.27 67.64 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.338 2.026 . . . . 0.0 111.469 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.91 10.84 85.2 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.741 1.162 . . . . 0.0 115.099 176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 37.0 mt -106.26 165.39 11.28 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.978 1.389 . . . . 0.0 112.673 172.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.03 159.5 42.1 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.203 2.201 . . . . 0.0 110.802 167.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 59.9 mt -77.08 119.13 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.971 0.908 . . . . 0.0 109.134 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.36 -43.27 2.21 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.388 0.994 . . . . 0.0 115.208 -174.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -142.19 145.61 34.34 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.003 1.321 . . . . 0.0 111.583 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.7 t -137.24 106.54 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.74 2.016 . . . . 0.0 109.07 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -100.84 77.73 1.89 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.588 1.555 . . . . 0.0 109.895 174.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -31.86 67.53 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.251 1.02 . . . . 0.0 111.741 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -52.9 -43.08 65.92 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.993 1.717 . . . . 0.0 112.59 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.06 -23.65 15.19 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.588 1.555 . . . . 0.0 113.323 -175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.12 43.12 14.18 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.625 1.107 . . . . 0.0 112.873 -170.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -130.48 136.76 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.601 1.16 . . . . 0.0 111.08 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -130.63 133.75 63.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.842 1.657 . . . . 0.0 109.346 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -120.78 127.38 51.9 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.495 1.118 . . . . 0.0 111.937 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -93.92 153.39 18.25 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.387 1.075 . . . . 0.0 112.396 176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.78 160.18 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.136 1.774 . . . . 0.0 111.418 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -77.39 120.19 22.05 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.219 1.008 . . . . 0.0 111.833 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -94.67 142.56 27.31 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.644 1.977 . . . . 0.0 111.853 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -93.48 3.98 54.69 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -174.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -73.51 5.53 3.73 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 125.532 1.533 . . . . 0.0 114.385 175.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 . . . . . 0 C--O 1.256 1.418 0 C-N-CA 127.111 2.165 . . . . 0.0 113.11 179.505 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 CA-C-O 119.522 -0.599 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -64.17 -29.3 64.83 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.573 2.849 . . . . 0.0 115.18 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 67.26 -137.99 33.87 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 123.901 0.763 . . . . 0.0 113.018 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 25.0 m -67.85 -21.86 65.16 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.411 1.085 . . . . 0.0 113.793 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mmm -87.8 145.88 25.88 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.965 1.306 . . . . 0.0 111.876 174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m -140.86 154.69 46.29 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.493 1.517 . . . . 0.0 110.03 172.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -153.89 138.43 16.84 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.329 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 175.55 6.46 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.854 1.262 . . . . 0.0 112.5 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -110.63 146.13 36.7 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.001 0.92 . . . . 0.0 111.264 153.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.43 141.66 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.141 1.376 . . . . 0.0 110.434 174.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -131.46 137.22 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.512 1.125 . . . . 0.0 112.002 171.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -154.81 168.32 27.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.002 1.721 . . . . 0.0 111.666 -175.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 m -129.42 128.31 42.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.786 0.834 . . . . 0.0 110.296 172.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -71.31 161.9 30.31 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.938 1.295 . . . . 0.0 112.517 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.66 -25.36 67.33 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.58 1.152 . . . . 0.0 112.853 171.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -69.19 -6.65 30.2 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.309 1.844 . . . . 0.0 113.746 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 6.21 89.21 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.858 1.694 . . . . 0.0 114.209 -172.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.44 122.04 5.61 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 117.978 0.889 . . . . 0.0 113.151 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -72.39 137.46 46.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.937 0.895 . . . . 0.0 110.19 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.07 136.88 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.31 1.444 . . . . 0.0 110.287 -176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -139.42 131.51 28.0 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.434 1.493 . . . . 0.0 110.068 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.0 mt -128.96 120.46 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.969 1.307 . . . . 0.0 109.174 -172.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.73 170.27 32.04 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.25 0.929 . . . . 0.0 114.259 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 55.09 37.05 28.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.476 1.91 . . . . 0.0 114.409 174.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.61 122.48 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.116 1.366 . . . . 0.0 111.47 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -85.34 -38.01 19.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.482 0.713 . . . . 0.0 112.426 172.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -147.78 154.14 40.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -138.88 139.28 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 126.507 1.923 . . . . 0.0 108.956 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -137.57 140.52 41.06 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.857 1.263 . . . . 0.0 110.879 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.64 122.31 41.69 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.99 0.916 . . . . 0.0 109.898 163.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -97.47 13.86 28.42 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.664 1.586 . . . . 0.0 113.661 -170.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.23 39.28 37.15 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.977 1.275 . . . . 0.0 113.772 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.29 -21.31 0.12 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.784 1.659 . . . . 0.0 114.022 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.61 157.6 35.57 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.213 2.205 . . . . 0.0 109.856 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -96.88 156.93 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 166.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -132.46 134.98 45.74 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.566 1.946 . . . . 0.0 109.851 170.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.8 t -128.74 132.23 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 127.47 2.308 . . . . 0.0 109.638 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.7 m -128.37 129.44 46.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.823 0.849 . . . . 0.0 112.522 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.9 p -87.88 169.83 11.69 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.389 1.476 . . . . 0.0 114.17 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.0 tp -52.56 -29.0 23.25 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.496 2.318 . . . . 0.0 114.221 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.39 17.6 23.72 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.388 1.475 . . . . 0.0 113.268 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 61.2 13.93 5.16 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.919 2.088 . . . . 0.0 115.491 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.73 145.51 48.75 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.699 -1.251 . . . . 0.0 110.51 165.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -125.78 144.44 50.63 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.881 1.272 . . . . 0.0 112.583 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -131.31 149.42 52.57 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.019 1.728 . . . . 0.0 110.198 172.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.46 144.58 26.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.979 0.912 . . . . 0.0 112.534 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -145.71 113.48 4.66 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.179 0.992 . . . . 0.0 111.494 -169.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -62.99 149.27 92.09 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.663 2.909 . . . . 0.0 113.645 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.44 19.24 79.64 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.504 0.962 . . . . 0.0 115.504 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 77.7 mt -114.67 159.71 20.19 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.024 1.33 . . . . 0.0 112.788 174.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.7 160.13 40.41 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.686 1.994 . . . . 0.0 110.543 170.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -76.7 117.15 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.593 -0.692 . . . . 0.0 109.399 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.47 -42.38 3.96 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.35 0.976 . . . . 0.0 113.912 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -146.21 153.8 41.03 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.051 1.34 . . . . 0.0 112.096 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 p -143.1 136.0 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.638 1.575 . . . . 0.0 109.787 167.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -136.1 108.41 7.31 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.325 1.85 . . . . 0.0 108.696 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -78.89 -26.83 43.87 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.791 1.636 . . . . 0.0 111.926 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -65.09 -48.75 72.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.3 1.84 . . . . 0.0 111.085 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -89.7 -19.01 25.33 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.22 15.3 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.088 1.327 . . . . 0.0 113.514 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -131.25 140.7 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.907 1.283 . . . . 0.0 112.0 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -122.61 127.5 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 126.347 1.859 . . . . 0.0 109.107 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.9 m -105.96 131.25 53.49 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.189 0.996 . . . . 0.0 110.812 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -99.98 154.42 18.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.678 0.791 . . . . 0.0 112.364 171.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 pp -134.96 159.63 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.037 1.735 . . . . 0.0 111.311 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -72.54 124.45 25.24 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.886 0.875 . . . . 0.0 112.219 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -89.32 107.49 19.09 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.823 1.649 . . . . 0.0 111.688 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -88.75 8.72 27.43 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.242 1.017 . . . . 0.0 113.608 173.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -71.51 -3.51 21.62 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.667 1.987 . . . . 0.0 114.764 -172.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.6 mmt-85 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.719 2.008 . . . . 0.0 111.712 -173.079 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -70.33 162.47 42.26 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.929 3.086 . . . . 0.0 113.443 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -158.54 124.94 1.44 Allowed Glycine 0 CA--C 1.531 1.049 0 C-N-CA 124.505 1.05 . . . . 0.0 111.664 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m -103.37 -11.18 18.06 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.98 1.312 . . . . 0.0 114.369 -172.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm -70.35 158.78 35.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.024 0.93 . . . . 0.0 113.298 -176.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 23.9 t -135.59 169.81 16.94 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.109 1.763 . . . . 0.0 110.482 170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.3 158.43 43.96 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.052 1.341 . . . . 0.0 110.711 171.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.07 -178.74 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.376 1.471 . . . . 0.0 111.769 -173.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 58.0 pttt -118.14 147.12 43.63 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.105 0.962 . . . . 0.0 112.458 163.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 54.7 t -93.39 145.89 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.694 1.198 . . . . 0.0 110.193 171.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.7 136.49 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.102 1.361 . . . . 0.0 112.158 171.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.19 162.39 41.21 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.574 1.949 . . . . 0.0 110.905 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 91.6 m -137.83 131.09 30.58 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.016 0.926 . . . . 0.0 110.957 174.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -70.06 160.88 31.18 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.81 1.644 . . . . 0.0 112.322 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 -25.04 68.08 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.652 0.781 . . . . 0.0 112.88 170.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -75.04 -2.45 27.42 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.511 1.524 . . . . 0.0 113.609 172.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.29 5.94 81.95 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.748 1.642 . . . . 0.0 114.649 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.43 107.52 2.49 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-N 118.749 1.275 . . . . 0.0 112.601 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -73.83 136.18 43.48 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.128 0.971 . . . . 0.0 110.879 171.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -134.12 134.99 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.204 1.802 . . . . 0.0 110.051 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -135.24 143.29 46.25 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.407 1.083 . . . . 0.0 111.18 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.7 mt -130.49 115.86 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.961 1.305 . . . . 0.0 108.446 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.9 170.37 37.89 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.834 1.207 . . . . 0.0 114.612 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 57.85 33.07 22.79 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 114.478 174.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -77.46 128.1 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.184 1.794 . . . . 0.0 110.906 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 42.7 mt -91.15 -30.95 16.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.892 0.877 . . . . 0.0 113.194 172.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -156.31 152.76 28.06 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.49 139.11 45.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.828 2.051 . . . . 0.0 109.278 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -136.22 135.05 38.75 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.892 1.277 . . . . 0.0 110.947 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.64 114.7 26.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.376 1.47 . . . . 0.0 110.387 171.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -76.39 179.74 5.65 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.927 1.291 . . . . 0.0 110.396 164.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.63 -11.43 48.81 Favored Glycine 0 CA--C 1.544 1.851 0 O-C-N 120.289 -1.507 . . . . 0.0 115.884 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.12 22.14 0.26 Allowed Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.799 1.19 . . . . 0.0 115.276 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.48 30.33 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.128 1.464 . . . . 0.0 111.852 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.5 t -107.06 143.82 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 124.344 1.057 . . . . 0.0 111.066 166.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -123.31 140.92 52.53 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.651 1.98 . . . . 0.0 110.172 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 67.7 t -133.1 131.54 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 126.941 2.096 . . . . 0.0 109.453 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 84.9 m -129.7 129.4 44.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.795 0.838 . . . . 0.0 112.643 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 36.0 p -96.36 167.91 10.89 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.425 1.49 . . . . 0.0 112.531 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -66.85 -10.45 48.31 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.67 2.23 30.55 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.149 1.379 . . . . 0.0 113.231 170.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t0 60.79 22.46 12.46 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.067 2.147 . . . . 0.0 113.848 -173.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -82.64 137.64 34.42 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.273 1.029 . . . . 0.0 110.504 169.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -109.12 137.85 46.38 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.611 1.164 . . . . 0.0 111.563 173.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -119.16 147.86 43.73 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.382 1.873 . . . . 0.0 109.714 167.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.0 144.86 31.86 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.44 108.29 6.67 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.898 1.279 . . . . 0.0 111.141 -170.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.22 148.78 56.47 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 122.933 2.422 . . . . 0.0 112.213 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.72 5.81 89.76 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.222 1.392 . . . . 0.0 114.985 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 55.7 mt -106.59 164.23 12.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.803 1.241 . . . . 0.0 112.95 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.16 166.04 25.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.32 2.248 . . . . 0.0 110.146 165.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mt -74.31 123.99 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 O-C-N 121.463 -0.773 . . . . 0.0 109.268 174.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.22 -38.17 3.38 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.108 0.861 . . . . 0.0 113.983 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -144.65 152.7 40.84 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.753 1.221 . . . . 0.0 112.698 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 79.0 t -133.36 133.45 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.579 1.952 . . . . 0.0 108.444 169.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -141.28 106.97 5.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.475 1.11 . . . . 0.0 110.029 175.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.73 -14.96 50.35 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.588 1.155 . . . . 0.0 113.644 -177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -76.13 -40.47 52.68 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.0 0.92 . . . . 0.0 111.048 170.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.1 t -77.77 -34.07 52.49 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.978 1.311 . . . . 0.0 112.76 171.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.92 36.84 20.93 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.502 1.525 . . . . 0.0 112.952 -173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.0 t -132.85 142.28 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.24 1.416 . . . . 0.0 112.262 -168.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 71.1 mt -125.11 117.38 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.064 1.746 . . . . 0.0 108.806 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 13.9 m -96.48 130.73 43.57 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.363 1.065 . . . . 0.0 111.32 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 mt -96.22 155.63 16.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.746 0.818 . . . . 0.0 112.013 173.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.9 164.58 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.835 2.054 . . . . 0.0 111.369 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -74.56 113.73 12.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.543 1.137 . . . . 0.0 110.94 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.97 145.16 50.23 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 122.125 0.964 . . . . 0.0 111.733 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -147.54 28.02 0.98 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.254 1.822 . . . . 0.0 111.785 -168.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -75.71 -28.75 58.71 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.061 1.744 . . . . 0.0 113.257 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 126.408 1.883 . . . . 0.0 112.948 -177.861 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.328 0 CA-C-O 119.293 -0.726 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.65 157.6 36.46 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 124.693 3.596 . . . . 0.0 114.513 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -84.38 175.45 51.07 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 118.777 -2.452 . . . . 0.0 114.187 -5.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.5 m -65.98 150.65 48.33 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.973 1.309 . . . . 0.0 112.463 174.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp -68.73 147.39 51.88 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 122.465 1.126 . . . . 0.0 113.266 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.7 t -144.41 167.25 22.92 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.587 2.755 . . . . 0.0 108.286 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.2 ptm -149.11 155.67 41.05 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 120.775 -1.203 . . . . 0.0 111.377 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.54 -179.39 6.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.683 1.193 . . . . 0.0 112.519 -171.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -121.94 143.6 49.36 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.033 1.333 . . . . 0.0 111.473 166.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.0 t -96.72 144.78 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.772 1.229 . . . . 0.0 110.833 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.18 129.54 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.099 2.16 . . . . 0.0 109.909 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -152.43 164.82 36.77 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.826 1.251 . . . . 0.0 111.765 175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.4 m -137.47 132.45 33.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.639 0.776 . . . . 0.0 110.913 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -70.7 164.22 25.51 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.005 1.722 . . . . 0.0 113.563 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -26.71 68.2 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.644 1.177 . . . . 0.0 113.697 173.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -78.13 -0.74 29.41 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.0 1.32 . . . . 0.0 113.613 171.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.18 0.77 76.66 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.856 1.693 . . . . 0.0 114.998 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.84 116.66 4.4 Favored Glycine 0 CA--C 1.534 1.261 0 CA-C-N 119.441 1.621 . . . . 0.0 112.772 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -74.04 140.18 45.21 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.252 1.021 . . . . 0.0 111.232 174.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.4 t -135.86 138.01 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 126.587 1.955 . . . . 0.0 109.721 -176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -139.62 147.02 40.49 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.27 1.028 . . . . 0.0 111.919 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -128.18 122.84 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.293 1.437 . . . . 0.0 108.701 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.58 167.48 33.81 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.542 1.068 . . . . 0.0 113.764 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 55.17 37.43 28.89 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.415 1.486 . . . . 0.0 114.397 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.0 t -74.87 130.39 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.873 1.669 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.9 mt -103.09 -24.8 13.59 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.755 1.222 . . . . 0.0 113.92 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -156.19 149.64 24.67 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.136 0.88 . . . . 0.0 113.234 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -133.08 142.71 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.912 2.085 . . . . 0.0 109.292 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -140.14 148.56 41.83 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 111.008 -172.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.83 118.49 28.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.203 1.001 . . . . 0.0 111.289 176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -88.21 171.44 10.21 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.895 1.678 . . . . 0.0 110.878 168.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.26 42.58 0.81 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.098 1.332 . . . . 0.0 114.838 174.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.17 -9.51 0.06 OUTLIER Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.104 1.335 . . . . 0.0 116.102 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.64 150.95 19.78 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 120.044 1.922 . . . . 0.0 112.921 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.3 t -97.15 145.83 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.876 0.87 . . . . 0.0 110.571 166.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -126.8 147.54 50.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.357 1.863 . . . . 0.0 111.006 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.05 133.15 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.853 1.661 . . . . 0.0 109.445 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.2 m -131.69 131.63 43.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.255 1.022 . . . . 0.0 112.576 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.1 p -90.93 169.4 10.93 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.988 1.315 . . . . 0.0 113.924 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.6 tp -54.51 -22.63 13.48 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.539 2.336 . . . . 0.0 113.48 168.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -106.37 18.17 22.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.222 1.409 . . . . 0.0 113.086 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 61.58 18.34 9.41 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.026 2.13 . . . . 0.0 115.009 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.11 132.73 41.45 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.974 -1.079 . . . . 0.0 109.732 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -113.46 141.97 46.47 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.936 0.894 . . . . 0.0 112.179 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -131.39 148.82 52.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.157 1.783 . . . . 0.0 110.143 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.7 142.26 36.9 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.028 0.931 . . . . 0.0 113.0 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -140.98 98.91 6.75 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 125.702 1.601 . . . . 0.0 112.169 -170.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.46 149.95 87.32 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.701 2.934 . . . . 0.0 114.435 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.16 6.87 86.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.827 1.203 . . . . 0.0 115.948 171.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 mt -103.6 166.92 10.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.084 1.354 . . . . 0.0 112.183 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.75 161.85 36.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.095 1.758 . . . . 0.0 110.389 160.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.8 mt -70.35 110.8 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.74 -49.65 4.49 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.767 1.175 . . . . 0.0 113.168 -173.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -148.55 138.0 21.96 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.674 1.189 . . . . 0.0 111.692 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 p -115.11 136.71 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.42 1.488 . . . . 0.0 109.711 164.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -136.43 110.15 8.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.999 1.72 . . . . 0.0 109.466 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.99 -10.82 52.23 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.63 1.172 . . . . 0.0 113.513 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -44.7 31.44 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.354 -0.841 . . . . 0.0 109.764 167.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.3 m -76.12 -28.83 57.62 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.408 1.083 . . . . 0.0 113.203 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.07 37.44 49.56 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.447 1.022 . . . . 0.0 112.917 -172.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.7 t -127.79 140.19 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.963 1.305 . . . . 0.0 111.938 -170.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.0 mt -125.58 106.06 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.858 1.663 . . . . 0.0 109.634 174.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.4 t -90.24 125.09 35.37 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.879 1.272 . . . . 0.0 111.258 175.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.2 mt -94.12 150.22 20.52 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.849 1.26 . . . . 0.0 111.011 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.89 156.42 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.472 1.509 . . . . 0.0 110.841 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -73.53 114.97 12.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.445 1.098 . . . . 0.0 110.571 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -90.18 135.21 33.81 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.541 -0.724 . . . . 0.0 111.092 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -131.38 13.6 5.05 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -157.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.59 -22.74 66.13 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.362 1.065 . . . . 0.0 112.694 168.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.934 2.093 . . . . 0.0 113.749 172.374 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.298 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.34 156.14 42.51 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 124.444 3.429 . . . . 0.0 114.57 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.48 -178.51 40.21 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.328 0.966 . . . . 0.0 113.524 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.6 m 54.92 30.67 14.4 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.08 1.752 . . . . 0.0 114.613 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 81.2 mmm -65.61 151.15 47.16 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.149 1.38 . . . . 0.0 113.738 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 9.3 t -145.52 143.85 30.2 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.429 1.892 . . . . 0.0 109.328 166.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -154.32 158.12 39.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.923 1.689 . . . . 0.0 110.274 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.2 -178.59 4.6 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.735 1.214 . . . . 0.0 112.528 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -119.68 134.09 55.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.366 1.066 . . . . 0.0 111.61 165.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 58.2 t -91.09 138.83 18.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.919 1.288 . . . . 0.0 110.174 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.47 142.72 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.369 1.068 . . . . 0.0 112.342 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -151.02 170.47 19.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.13 2.172 . . . . 0.0 110.627 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 22.6 m -131.71 132.46 43.92 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.973 0.909 . . . . 0.0 111.406 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -71.83 164.36 26.16 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.195 1.798 . . . . 0.0 112.844 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.28 -26.76 67.99 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.121 0.968 . . . . 0.0 113.309 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -70.72 -7.22 43.16 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.204 1.802 . . . . 0.0 113.664 172.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.07 4.35 90.53 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.531 1.539 . . . . 0.0 113.758 -170.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.39 129.96 9.44 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.765 1.174 . . . . 0.0 112.682 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -73.55 142.65 46.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.677 0.791 . . . . 0.0 110.726 177.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -131.33 133.3 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.855 1.662 . . . . 0.0 108.857 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -140.68 140.25 34.92 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.739 -173.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mt -127.13 120.07 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.827 1.651 . . . . 0.0 109.081 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.74 170.39 40.06 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 123.897 0.761 . . . . 0.0 114.113 176.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 58.12 31.99 21.43 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.868 1.667 . . . . 0.0 114.193 171.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.98 124.67 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.148 1.779 . . . . 0.0 111.663 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -95.3 -38.94 10.3 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.391 1.476 . . . . 0.0 111.643 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -148.23 154.66 40.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.296 1.038 . . . . 0.0 112.914 178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -139.62 136.48 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.063 1.345 . . . . 0.0 109.177 177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -118.78 146.34 44.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.025 1.73 . . . . 0.0 111.6 176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.86 114.77 28.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.509 1.124 . . . . 0.0 109.714 161.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -82.48 -177.35 6.65 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.005 1.322 . . . . 0.0 110.977 170.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.75 -10.07 36.14 Favored Glycine 0 CA--C 1.541 1.71 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.51 20.14 0.17 Allowed Glycine 0 CA--C 1.537 1.413 0 CA-C-N 118.559 1.179 . . . . 0.0 115.67 177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.39 155.71 27.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.115 1.457 . . . . 0.0 112.226 -176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -99.41 142.45 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.284 1.033 . . . . 0.0 110.511 165.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -125.57 137.12 53.91 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.245 1.818 . . . . 0.0 110.917 173.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.3 132.89 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 126.457 1.903 . . . . 0.0 109.458 -172.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -134.08 129.21 35.66 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.477 0.711 . . . . 0.0 112.184 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.0 p -81.32 164.55 22.1 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.949 1.299 . . . . 0.0 112.872 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -67.02 -14.86 63.31 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 171.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -83.96 3.93 32.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.544 1.537 . . . . 0.0 113.755 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t0 62.12 28.72 17.3 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.495 1.918 . . . . 0.0 114.667 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -85.3 141.5 30.02 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.27 -0.894 . . . . 0.0 110.332 166.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -123.21 142.32 51.04 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.777 1.231 . . . . 0.0 113.183 -173.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -133.09 149.76 52.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.352 1.861 . . . . 0.0 110.09 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.34 145.38 33.86 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.739 0.815 . . . . 0.0 113.134 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -142.61 105.76 5.43 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.347 1.459 . . . . 0.0 111.578 -170.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.7 148.63 59.41 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.275 2.65 . . . . 0.0 112.695 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.8 -4.71 56.19 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.34 1.448 . . . . 0.0 115.574 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 34.2 mt -88.19 164.83 15.46 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.903 1.351 . . . . 0.0 112.418 175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 158.99 43.21 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.408 2.283 . . . . 0.0 109.925 164.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 54.4 mt -73.05 113.69 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.52 -37.93 6.82 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.532 1.063 . . . . 0.0 113.775 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -145.02 148.63 33.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.426 1.49 . . . . 0.0 112.287 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.98 105.25 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 127.035 2.134 . . . . 0.0 107.436 168.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -108.6 88.29 2.69 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.507 1.523 . . . . 0.0 110.797 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.56 ' H ' HD22 ' B' ' 53' ' ' LEU . 1.3 mm? -63.36 -34.16 77.12 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.622 0.769 . . . . 0.0 111.081 178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.31 -36.78 66.57 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.181 1.792 . . . . 0.0 113.563 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 27.9 m -101.91 -18.61 15.62 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.94 33.52 62.67 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.079 0.847 . . . . 0.0 113.18 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -131.08 141.99 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.04 1.336 . . . . 0.0 111.577 -171.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.5 mt -124.35 135.47 63.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.68 1.592 . . . . 0.0 108.396 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -125.6 128.9 48.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.054 0.942 . . . . 0.0 111.11 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.4 mt -98.74 153.51 18.67 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.864 0.866 . . . . 0.0 112.594 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -137.09 161.87 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 126.558 1.943 . . . . 0.0 110.542 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -77.12 122.41 24.95 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.598 -0.689 . . . . 0.0 110.245 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -67.55 116.82 8.71 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.833 0.853 . . . . 0.0 112.302 -171.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -138.14 38.83 2.32 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.72 1.608 . . . . 0.0 111.836 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -71.91 -10.77 60.24 Favored 'General case' 0 CA--C 1.554 1.099 0 O-C-N 120.702 -1.249 . . . . 0.0 114.106 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 . . . . . 0 C--O 1.252 1.208 0 C-N-CA 126.468 1.907 . . . . 0.0 114.213 173.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 112.195 -0.362 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -74.07 -18.15 21.48 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 123.565 2.843 . . . . 0.0 114.485 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 74.99 -158.45 51.16 Favored Glycine 0 CA--C 1.537 1.459 0 CA-C-N 119.005 0.82 . . . . 0.0 113.042 -171.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.5 m -64.55 130.66 44.52 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.056 0.943 . . . . 0.0 112.457 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.5 mtp -93.21 147.11 23.18 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.788 1.235 . . . . 0.0 111.764 173.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.2 m -134.83 170.75 15.38 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.631 2.373 . . . . 0.0 109.603 174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.6 mtp -136.58 149.21 47.94 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.724 1.61 . . . . 0.0 110.801 171.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.77 173.54 13.14 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.772 1.229 . . . . 0.0 111.517 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -111.71 144.9 40.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.149 0.98 . . . . 0.0 111.742 163.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.64 142.74 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.329 1.052 . . . . 0.0 109.284 165.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.42 139.46 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.881 1.273 . . . . 0.0 110.842 170.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.47 165.19 35.86 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.671 1.588 . . . . 0.0 111.564 -174.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -135.02 131.98 37.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.873 0.869 . . . . 0.0 110.498 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -67.17 163.53 20.08 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.507 1.523 . . . . 0.0 112.141 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.11 -26.26 68.19 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.813 0.845 . . . . 0.0 112.854 170.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -78.43 -4.54 48.85 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.933 1.693 . . . . 0.0 114.065 172.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.89 77.47 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.581 1.562 . . . . 0.0 114.936 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.98 116.52 4.47 Favored Glycine 0 CA--C 1.537 1.425 0 CA-C-N 118.318 1.059 . . . . 0.0 111.655 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -85.44 139.06 31.82 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.07 0.948 . . . . 0.0 111.779 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.0 t -139.74 143.74 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.891 1.676 . . . . 0.0 110.302 -173.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -140.54 149.74 42.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.166 0.986 . . . . 0.0 112.478 172.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.94 120.38 44.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.793 1.637 . . . . 0.0 108.376 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.96 173.04 40.96 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.68 1.133 . . . . 0.0 113.969 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 57.99 34.03 23.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.592 1.557 . . . . 0.0 113.964 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -76.14 131.96 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.291 1.437 . . . . 0.0 110.655 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.1 mt -101.19 -21.12 15.01 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.209 1.004 . . . . 0.0 113.423 172.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -160.84 151.81 18.7 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.65 1.113 . . . . 0.0 113.619 175.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.0 t -135.22 133.26 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 126.542 1.937 . . . . 0.0 109.403 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -131.71 123.94 28.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.535 1.134 . . . . 0.0 110.935 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.45 137.58 32.23 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.614 0.721 . . . . 0.0 111.37 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -112.95 11.45 19.1 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.481 1.913 . . . . 0.0 112.09 172.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.25 -60.54 2.3 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 126.656 2.074 . . . . 0.0 112.83 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.19 -6.29 79.28 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.802 1.192 . . . . 0.0 114.527 173.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.09 166.19 26.14 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.902 1.681 . . . . 0.0 112.345 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.0 t -121.76 142.91 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 125.056 1.342 . . . . 0.0 110.851 162.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -120.86 147.46 45.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.888 2.075 . . . . 0.0 110.884 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.1 t -139.65 135.4 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.241 1.817 . . . . 0.0 109.369 -170.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.3 m -131.86 132.75 43.94 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.882 0.764 . . . . 0.0 112.238 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -91.18 167.17 12.53 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.7 tp -54.93 -27.73 45.6 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.108 2.163 . . . . 0.0 113.359 168.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.77 19.63 16.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.54 1.536 . . . . 0.0 113.547 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.4 t0 61.64 25.0 15.0 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.922 2.089 . . . . 0.0 115.373 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -83.81 129.0 34.94 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.853 -1.154 . . . . 0.0 110.192 167.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -104.04 139.82 38.61 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.091 0.956 . . . . 0.0 111.281 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -129.47 148.26 51.36 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.075 1.75 . . . . 0.0 109.748 176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.36 140.87 32.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.709 0.804 . . . . 0.0 111.763 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -139.18 112.31 8.0 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.039 1.336 . . . . 0.0 110.763 -171.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -73.22 149.5 45.85 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.949 2.433 . . . . 0.0 112.499 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.21 86.2 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.03 1.3 . . . . 0.0 115.057 172.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -105.72 163.12 12.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.666 1.233 . . . . 0.0 113.165 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.6 162.05 36.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.219 2.208 . . . . 0.0 110.328 167.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mt -78.65 122.19 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 120.892 -1.13 . . . . 0.0 110.05 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -110.54 -29.07 3.77 Favored Glycine 0 N--CA 1.477 1.393 0 N-CA-C 115.726 1.05 . . . . 0.0 115.726 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.57 144.67 31.42 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.754 1.222 . . . . 0.0 111.603 179.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.9 t -140.86 131.8 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 125.602 1.561 . . . . 0.0 108.909 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -147.76 105.04 3.65 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.743 1.217 . . . . 0.0 110.475 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.35 -26.81 38.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.446 1.498 . . . . 0.0 112.179 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -63.37 -47.13 83.36 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.518 1.527 . . . . 0.0 110.708 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 m -87.41 -20.19 27.01 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 174.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.56 43.69 18.42 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.282 0.944 . . . . 0.0 113.861 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 43.8 t -134.78 139.86 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.054 1.341 . . . . 0.0 111.588 -173.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -127.26 126.12 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.558 1.943 . . . . 0.0 108.88 173.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -113.49 129.25 56.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.301 1.04 . . . . 0.0 111.567 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.6 mt -97.79 152.61 18.97 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.169 0.987 . . . . 0.0 112.15 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.24 158.61 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.874 2.07 . . . . 0.0 111.059 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -77.35 124.23 27.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.499 0.719 . . . . 0.0 111.008 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 144.82 25.35 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.434 1.494 . . . . 0.0 111.332 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.3 40.19 0.93 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.514 1.126 . . . . 0.0 113.579 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -73.75 -0.58 16.11 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.295 1.438 . . . . 0.0 114.661 -175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.344 0 C-N-CA 126.986 2.114 . . . . 0.0 111.274 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.014 -0.435 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -67.08 159.68 50.94 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.892 3.061 . . . . 0.0 112.634 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.95 -13.23 66.29 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 123.93 0.776 . . . . 0.0 114.534 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 76.8 p -78.95 -30.21 44.44 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.158 1.383 . . . . 0.0 114.392 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm -82.41 156.16 24.3 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.71 -174.02 4.5 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.099 1.759 . . . . 0.0 110.691 172.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.19 164.87 29.46 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.493 1.117 . . . . 0.0 111.861 172.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.88 176.12 8.85 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.099 1.76 . . . . 0.0 113.113 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -128.22 144.66 51.14 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.903 1.681 . . . . 0.0 111.056 165.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -108.74 143.08 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.395 1.478 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -127.23 137.65 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.019 1.328 . . . . 0.0 111.715 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -154.74 169.78 23.12 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.413 1.885 . . . . 0.0 111.746 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 10.8 m -134.58 134.77 41.68 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.653 0.781 . . . . 0.0 111.321 177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.4 162.27 25.77 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.24 1.416 . . . . 0.0 112.604 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.72 -27.01 68.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.933 0.893 . . . . 0.0 112.907 169.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -75.38 -4.44 39.42 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.868 1.667 . . . . 0.0 114.013 172.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.7 6.62 79.83 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 125.38 1.467 . . . . 0.0 114.579 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.54 121.15 5.97 Favored Glycine 0 CA--C 1.536 1.367 0 CA-C-N 118.647 1.223 . . . . 0.0 112.419 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -71.32 135.87 47.58 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.394 1.077 . . . . 0.0 110.823 173.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -132.91 138.27 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.808 1.643 . . . . 0.0 110.418 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -134.93 143.55 46.97 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.119 1.368 . . . . 0.0 111.058 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -132.62 120.79 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.214 1.406 . . . . 0.0 108.98 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.7 30.35 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.883 1.23 . . . . 0.0 114.378 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 55.79 33.96 22.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.187 1.795 . . . . 0.0 114.33 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.84 130.99 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.964 1.706 . . . . 0.0 110.842 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 49.8 mt -97.12 -27.77 14.42 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -154.75 152.27 29.68 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.8 t -137.87 135.48 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.526 1.93 . . . . 0.0 109.869 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -135.07 104.7 6.04 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.171 1.388 . . . . 0.0 110.623 -165.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 119.43 30.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.794 0.838 . . . . 0.0 112.015 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -102.67 5.05 38.83 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.257 1.823 . . . . 0.0 113.42 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.96 -45.83 1.71 Allowed Glycine 0 CA--C 1.538 1.497 0 C-N-CA 126.583 2.04 . . . . 0.0 114.57 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.25 -17.84 78.97 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.321 0.962 . . . . 0.0 114.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.24 165.81 26.3 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.914 1.686 . . . . 0.0 112.086 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -113.66 140.56 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.471 1.108 . . . . 0.0 110.581 160.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -116.29 143.82 45.04 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 126.498 1.919 . . . . 0.0 110.153 171.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 98.2 t -134.41 137.93 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 126.486 1.914 . . . . 0.0 109.647 -171.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.9 m -133.57 129.41 36.98 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.015 0.825 . . . . 0.0 112.626 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -85.72 167.32 15.38 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.474 1.109 . . . . 0.0 113.505 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.02 -27.66 63.74 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.941 1.697 . . . . 0.0 112.807 170.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -88.22 11.9 15.23 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.814 1.645 . . . . 0.0 113.549 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 60.84 21.64 11.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 127.255 2.222 . . . . 0.0 114.912 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.69 127.02 31.99 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.807 -1.183 . . . . 0.0 110.138 169.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -99.51 139.49 35.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.891 0.876 . . . . 0.0 112.301 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -125.74 149.74 48.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.177 1.791 . . . . 0.0 109.786 171.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.85 140.63 29.9 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.55 0.74 . . . . 0.0 112.63 -177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.29 111.42 6.5 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.745 1.218 . . . . 0.0 111.106 -170.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.53 149.49 55.83 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.099 2.533 . . . . 0.0 112.898 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.93 7.07 86.39 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.589 1.566 . . . . 0.0 115.439 173.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.15 165.91 11.49 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.08 1.44 . . . . 0.0 113.853 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.28 166.29 25.94 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.488 2.315 . . . . 0.0 110.239 163.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -76.61 126.75 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.431 -0.793 . . . . 0.0 109.984 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.42 -53.23 1.88 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.392 1.472 . . . . 0.0 113.664 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -143.75 149.84 37.71 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.612 1.165 . . . . 0.0 111.94 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -137.35 104.79 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.318 1.447 . . . . 0.0 109.164 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -97.59 105.83 18.04 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.357 1.063 . . . . 0.0 110.073 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.429 ' H ' HD22 ' B' ' 53' ' ' LEU . 1.6 mm? -71.85 -26.24 62.29 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.812 -1.18 . . . . 0.0 110.715 167.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -57.9 -26.49 62.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.739 2.016 . . . . 0.0 113.809 177.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 97.4 p -135.75 -7.83 2.15 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.06 1.344 . . . . 0.0 114.573 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.94 7.94 86.61 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 125.26 1.41 . . . . 0.0 114.965 -174.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.27 129.38 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 120.045 1.922 . . . . 0.0 112.111 -177.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.3 mt -116.22 133.64 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.338 1.855 . . . . 0.0 109.094 171.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 86.3 p -112.13 143.48 43.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.655 0.782 . . . . 0.0 112.211 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 32.2 mt -107.69 152.6 24.11 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.351 1.061 . . . . 0.0 111.557 170.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.99 158.55 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 126.187 1.795 . . . . 0.0 111.057 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -75.1 115.7 15.02 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.349 1.06 . . . . 0.0 111.218 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -76.35 136.22 39.54 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.538 1.135 . . . . 0.0 112.198 -175.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -101.5 5.11 41.74 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.095 1.758 . . . . 0.0 113.346 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -71.12 -17.73 62.55 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.151 1.78 . . . . 0.0 114.05 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.63 1.972 . . . . 0.0 112.167 -176.246 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.496 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.12 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -61.42 160.09 28.93 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 124.061 3.174 . . . . 0.0 115.072 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.8 -171.19 36.68 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.382 0.991 . . . . 0.0 114.394 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 7.6 t 60.35 -166.74 0.19 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.562 1.545 . . . . 0.0 113.913 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.9 mtp 65.3 156.35 0.09 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 128.901 2.88 . . . . 0.0 115.668 -174.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.8 t -150.52 164.36 36.17 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.761 2.025 . . . . 0.0 109.39 166.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -147.04 157.46 43.62 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.154 1.382 . . . . 0.0 110.774 171.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.69 -176.15 3.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.115 1.366 . . . . 0.0 112.485 -171.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -126.57 141.42 51.87 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 111.715 165.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -94.3 144.2 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.181 0.992 . . . . 0.0 109.778 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 p -135.46 138.25 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.173 1.389 . . . . 0.0 112.386 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.95 166.26 32.08 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.915 2.086 . . . . 0.0 110.453 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -133.46 130.95 39.31 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 121.337 -0.852 . . . . 0.0 111.361 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -74.43 162.21 29.06 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.786 1.634 . . . . 0.0 112.552 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -21.87 66.83 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.286 1.034 . . . . 0.0 113.036 172.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -73.74 -2.89 25.23 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.104 1.362 . . . . 0.0 113.441 171.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.12 5.59 89.55 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.588 1.566 . . . . 0.0 114.241 -175.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.25 119.86 5.16 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.688 1.137 . . . . 0.0 112.102 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -75.91 141.27 42.36 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.178 0.989 . . . . 0.0 111.086 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.77 135.85 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 126.599 1.96 . . . . 0.0 108.931 -177.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -136.85 146.73 45.95 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.763 1.225 . . . . 0.0 111.811 -175.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.4 mt -131.12 122.25 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 125.213 1.405 . . . . 0.0 108.856 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.03 166.61 29.95 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.762 1.172 . . . . 0.0 114.049 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 53.8 35.96 22.83 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.442 1.897 . . . . 0.0 113.859 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.2 t -72.03 126.25 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 125.168 1.387 . . . . 0.0 110.746 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.2 tp -107.38 -22.33 12.61 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.557 1.143 . . . . 0.0 112.821 -176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -154.21 148.23 25.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.521 1.128 . . . . 0.0 113.454 169.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.72 137.78 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.224 1.81 . . . . 0.0 109.976 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -138.21 138.84 38.92 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.656 1.182 . . . . 0.0 112.001 -172.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.76 120.4 35.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.17 0.988 . . . . 0.0 110.772 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -89.81 -179.31 5.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.764 1.625 . . . . 0.0 110.516 168.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.9 79.65 0.26 Allowed Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.584 1.087 . . . . 0.0 112.913 172.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.13 25.89 30.16 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.107 1.337 . . . . 0.0 114.83 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.43 160.41 43.27 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.673 1.589 . . . . 0.0 111.665 176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.47 144.0 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 124.387 1.075 . . . . 0.0 111.061 170.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -121.34 141.74 50.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.231 1.812 . . . . 0.0 111.138 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.6 t -135.33 132.21 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.951 2.1 . . . . 0.0 109.776 -173.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.0 m -134.81 133.22 39.57 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.244 0.545 . . . . 0.0 111.768 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.4 p -85.9 165.39 16.82 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.641 1.176 . . . . 0.0 113.645 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -57.38 -20.02 26.76 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.452 1.901 . . . . 0.0 113.419 169.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -107.6 24.04 13.52 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.757 1.623 . . . . 0.0 112.955 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 63.21 17.23 10.04 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.897 2.079 . . . . 0.0 115.895 172.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -78.96 133.65 36.87 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.588 -1.32 . . . . 0.0 110.312 168.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -115.15 140.8 48.77 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.434 1.093 . . . . 0.0 112.168 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -132.43 147.51 52.38 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.64 1.976 . . . . 0.0 109.879 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.06 144.68 36.97 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.592 0.757 . . . . 0.0 112.499 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -140.31 92.68 9.28 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.775 1.63 . . . . 0.0 111.266 -171.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.04 146.29 94.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.106 2.538 . . . . 0.0 112.768 173.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.51 4.16 90.46 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.325 1.441 . . . . 0.0 114.705 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 47.3 mt -104.37 166.42 10.41 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.633 1.217 . . . . 0.0 112.431 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.18 160.76 39.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.183 2.193 . . . . 0.0 110.331 165.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.8 mt -72.42 115.45 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.36 -0.838 . . . . 0.0 108.744 175.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.0 -45.14 3.16 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.508 1.051 . . . . 0.0 113.894 -175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -142.9 149.87 39.04 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.657 1.183 . . . . 0.0 111.635 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.9 t -133.26 126.0 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 126.584 1.953 . . . . 0.0 108.314 171.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -136.94 100.7 4.36 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.219 1.008 . . . . 0.0 110.523 -173.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.2 -22.51 52.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.648 1.179 . . . . 0.0 112.678 -174.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -72.2 -41.3 67.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.166 1.386 . . . . 0.0 111.842 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.3 t -80.41 -30.8 37.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.479 1.112 . . . . 0.0 112.485 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 31.72 42.93 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.152 1.358 . . . . 0.0 113.041 -171.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.4 t -129.96 143.43 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.865 1.266 . . . . 0.0 111.807 -168.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -122.32 119.75 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.209 1.803 . . . . 0.0 109.022 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -97.98 129.89 44.85 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.128 0.971 . . . . 0.0 110.792 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.0 mt -98.59 151.52 20.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.808 0.843 . . . . 0.0 111.694 172.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.7 159.12 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.751 1.62 . . . . 0.0 111.31 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -76.84 114.84 16.06 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.292 1.437 . . . . 0.0 111.388 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -83.32 147.67 27.8 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.054 1.342 . . . . 0.0 111.267 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -118.64 0.61 11.54 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.98 1.312 . . . . 0.0 114.025 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -75.8 -12.03 60.1 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.193 1.797 . . . . 0.0 113.032 171.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ptt85 . . . . . 0 N--CA 1.484 1.226 0 C-N-CA 127.52 2.328 . . . . 0.0 113.679 175.703 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 CA-C-O 120.016 -0.324 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.49 -12.51 18.66 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.209 3.273 . . . . 0.0 114.22 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.98 -141.9 22.0 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 119.015 0.825 . . . . 0.0 112.753 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 80.4 p -72.84 -21.56 60.94 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptm -81.65 156.45 25.1 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.432 1.093 . . . . 0.0 112.02 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 91.5 m -121.55 173.94 7.09 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.957 1.703 . . . . 0.0 110.938 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.85 165.48 28.77 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.678 1.591 . . . . 0.0 110.288 168.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.13 -179.73 6.03 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.158 1.383 . . . . 0.0 112.053 -175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -118.37 147.37 43.6 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.426 1.09 . . . . 0.0 112.091 161.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -97.17 143.38 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.052 1.341 . . . . 0.0 110.359 170.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 8.2 p -134.74 137.76 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.483 1.513 . . . . 0.0 111.398 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.06 158.06 43.6 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.289 1.836 . . . . 0.0 110.985 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.2 m -133.68 126.71 31.37 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.874 0.87 . . . . 0.0 111.13 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -71.16 159.45 34.65 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.106 1.362 . . . . 0.0 112.75 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.96 -26.86 69.03 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.355 1.062 . . . . 0.0 112.849 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -72.9 -4.17 30.27 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.562 1.545 . . . . 0.0 113.519 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.04 4.1 82.14 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.846 1.689 . . . . 0.0 114.303 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.72 113.4 3.63 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 118.554 1.177 . . . . 0.0 112.096 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -81.21 142.08 33.54 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.147 0.979 . . . . 0.0 111.387 174.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -133.19 137.39 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.957 1.703 . . . . 0.0 109.768 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -134.91 144.52 47.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.757 1.223 . . . . 0.0 111.42 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 48.7 mt -129.0 119.32 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.452 1.501 . . . . 0.0 108.07 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.64 171.31 37.77 Favored Glycine 0 N--CA 1.472 1.066 0 C-N-CA 124.361 0.981 . . . . 0.0 113.585 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 57.16 31.8 20.64 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.239 1.416 . . . . 0.0 114.195 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -73.36 127.17 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 126.164 1.786 . . . . 0.0 110.762 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tt -97.28 -35.3 10.78 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.365 1.466 . . . . 0.0 112.345 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -153.76 156.02 36.97 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.9 t -136.85 139.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 126.983 2.113 . . . . 0.0 109.345 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -139.98 135.26 32.55 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.033 0.933 . . . . 0.0 111.963 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.81 139.74 30.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.523 1.129 . . . . 0.0 110.885 168.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -112.31 11.55 20.11 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.826 1.65 . . . . 0.0 113.526 -175.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.11 36.86 72.36 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.97 1.271 . . . . 0.0 113.117 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.95 -12.93 0.1 Allowed Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.325 1.441 . . . . 0.0 114.043 -175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.68 162.06 41.75 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.657 1.983 . . . . 0.0 110.828 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -114.03 138.83 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.407 1.083 . . . . 0.0 110.942 167.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.71 144.02 42.93 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.14 2.176 . . . . 0.0 110.603 174.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 62.7 t -135.61 127.13 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.942 1.697 . . . . 0.0 109.313 -174.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 90.0 m -128.76 129.04 45.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.302 1.041 . . . . 0.0 111.481 -175.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 43.1 p -86.21 164.06 17.41 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.845 1.258 . . . . 0.0 112.752 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -69.48 -10.7 59.2 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 171.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -85.94 7.21 25.15 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.611 1.564 . . . . 0.0 112.709 168.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.309 1.9 p30 58.46 13.85 2.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 129.139 2.976 . . . . 0.0 116.099 -176.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -70.1 141.56 52.72 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.105 -0.997 . . . . 0.0 110.682 164.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -129.88 144.88 51.54 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.916 1.286 . . . . 0.0 112.077 -174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -132.77 150.33 52.17 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.742 2.017 . . . . 0.0 109.596 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.1 144.02 33.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.639 0.776 . . . . 0.0 112.678 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -138.01 110.07 8.47 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.223 1.409 . . . . 0.0 110.967 -171.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -72.12 147.82 49.18 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.022 2.481 . . . . 0.0 112.111 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.85 3.48 90.49 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.842 1.21 . . . . 0.0 114.857 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -98.06 164.52 12.31 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.522 1.161 . . . . 0.0 113.042 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.69 159.75 41.32 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.416 2.286 . . . . 0.0 110.17 165.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.89 114.2 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.05 -42.68 3.47 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.252 0.93 . . . . 0.0 114.249 -172.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -146.33 145.26 30.26 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.784 1.234 . . . . 0.0 112.116 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 38.4 t -136.07 114.18 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.59 1.556 . . . . 0.0 109.1 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -115.38 93.33 4.24 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.369 1.468 . . . . 0.0 109.775 -173.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.99 -34.61 73.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.623 -0.673 . . . . 0.0 112.423 -172.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -60.44 -45.18 94.6 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.314 1.045 . . . . 0.0 112.324 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.1 m -81.96 -25.51 34.76 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.644 1.178 . . . . 0.0 113.635 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.57 39.8 55.36 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.388 0.994 . . . . 0.0 113.283 -171.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 48.4 t -130.13 138.43 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.471 1.108 . . . . 0.0 111.837 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 90.3 mt -122.32 119.79 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 126.058 1.743 . . . . 0.0 108.736 174.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.7 m -102.19 127.28 49.2 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.294 1.037 . . . . 0.0 111.211 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 35.7 mt -97.43 151.37 20.04 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.853 0.861 . . . . 0.0 111.451 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.58 160.04 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.048 1.739 . . . . 0.0 110.986 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -74.88 120.83 20.95 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.823 0.849 . . . . 0.0 111.473 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.91 142.89 51.1 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.211 1.404 . . . . 0.0 112.443 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -122.31 6.18 9.65 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.873 1.269 . . . . 0.0 114.394 -170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -69.15 -42.74 75.56 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.32 1.048 . . . . 0.0 110.368 173.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.374 1.87 . . . . 0.0 112.782 -179.592 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 CA-C-O 118.705 -1.053 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -62.5 137.1 62.65 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.937 2.425 . . . . 0.0 111.653 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 76.31 6.58 83.86 Favored Glycine 0 CA--C 1.541 1.713 0 C-N-CA 124.637 1.113 . . . . 0.0 115.512 -177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 97.6 p -138.51 -40.01 0.51 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.174 1.487 . . . . 0.0 113.547 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp -81.75 156.08 25.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.816 0.847 . . . . 0.0 111.483 163.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.2 t -150.28 172.89 14.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.126 1.37 . . . . 0.0 110.946 173.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.6 ptm -151.98 156.57 40.28 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.988 1.715 . . . . 0.0 111.197 -174.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.94 -176.12 4.26 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.913 1.285 . . . . 0.0 112.373 -172.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -124.47 148.36 47.72 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.351 1.06 . . . . 0.0 112.028 163.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 t -97.72 143.7 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.358 1.063 . . . . 0.0 110.427 171.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.63 138.27 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.479 1.511 . . . . 0.0 111.638 173.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.34 162.97 39.96 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.417 1.887 . . . . 0.0 111.219 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.2 m -137.06 131.3 32.57 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.922 0.889 . . . . 0.0 110.608 174.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -67.41 163.02 21.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.35 1.46 . . . . 0.0 112.797 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -27.01 68.41 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.142 0.977 . . . . 0.0 112.734 170.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -76.9 -2.56 34.21 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.414 1.485 . . . . 0.0 113.935 173.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.35 81.15 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.174 1.368 . . . . 0.0 114.592 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.66 109.92 2.92 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 118.7 1.25 . . . . 0.0 112.241 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -75.05 138.06 41.9 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.149 0.979 . . . . 0.0 111.411 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.5 t -136.82 137.32 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.019 1.728 . . . . 0.0 109.927 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -133.42 143.84 49.14 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.429 1.092 . . . . 0.0 111.666 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -122.68 118.93 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.355 1.462 . . . . 0.0 108.471 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.06 167.54 36.3 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.566 1.079 . . . . 0.0 114.391 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.26 34.42 20.37 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.087 1.755 . . . . 0.0 114.498 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.75 126.02 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 110.202 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 tp -107.16 -27.33 10.64 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.647 1.179 . . . . 0.0 112.767 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -155.1 158.27 38.77 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.332 1.053 . . . . 0.0 112.806 167.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.38 142.4 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.481 1.913 . . . . 0.0 110.341 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -124.15 152.48 42.77 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.72 2.008 . . . . 0.0 112.156 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.61 139.58 50.35 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.124 1.37 . . . . 0.0 110.659 162.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -113.65 12.9 18.55 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.657 1.583 . . . . 0.0 112.293 -174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.64 -34.43 2.94 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 126.482 1.992 . . . . 0.0 115.054 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.1 -0.96 22.45 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.473 1.511 . . . . 0.0 114.664 171.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.7 168.86 26.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.754 1.622 . . . . 0.0 111.674 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m -123.28 159.39 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.028 0.931 . . . . 0.0 112.52 162.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -135.11 134.19 40.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.564 1.946 . . . . 0.0 110.234 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -122.86 130.13 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 126.609 1.964 . . . . 0.0 109.862 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -126.0 128.5 47.56 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.912 0.885 . . . . 0.0 111.335 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.6 p -87.39 165.67 15.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 122.171 0.986 . . . . 0.0 113.076 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.23 -20.78 44.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.77 2.028 . . . . 0.0 113.506 170.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -107.34 22.11 16.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.08 1.752 . . . . 0.0 113.214 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.82 19.79 11.73 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.999 2.12 . . . . 0.0 115.549 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.88 141.01 40.76 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.019 -1.051 . . . . 0.0 110.193 166.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -124.4 135.78 53.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.517 1.127 . . . . 0.0 111.294 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -129.15 142.89 50.74 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.817 1.647 . . . . 0.0 109.812 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.81 141.17 44.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.793 0.837 . . . . 0.0 112.525 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -140.85 93.25 8.44 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.41 1.084 . . . . 0.0 111.244 -173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.03 143.16 94.71 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.351 2.701 . . . . 0.0 111.894 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.1 1.58 90.04 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.9 mt -101.44 164.09 11.94 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.37 1.085 . . . . 0.0 111.646 167.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.07 157.67 45.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.748 2.019 . . . . 0.0 111.152 168.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.73 107.35 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 172.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.45 -42.93 5.05 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.08 0.848 . . . . 0.0 113.763 -173.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -146.87 149.65 33.68 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.52 1.528 . . . . 0.0 111.45 176.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.9 t -132.78 128.68 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.712 2.005 . . . . 0.0 108.425 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -129.69 110.08 11.5 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.787 1.235 . . . . 0.0 109.912 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.68 -24.04 45.32 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.244 1.418 . . . . 0.0 112.951 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -79.89 -40.97 27.14 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.674 1.19 . . . . 0.0 111.455 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -79.92 -26.07 40.28 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.23 43.86 30.68 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.127 0.87 . . . . 0.0 112.96 -174.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.6 t -132.81 138.87 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.11 1.364 . . . . 0.0 111.187 -171.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.7 mt -123.41 117.08 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.861 1.665 . . . . 0.0 108.841 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.5 m -99.84 119.66 38.53 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.71 1.204 . . . . 0.0 110.669 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.66 146.73 24.91 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.66 0.784 . . . . 0.0 111.353 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.83 159.06 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.905 1.682 . . . . 0.0 111.233 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -71.46 115.78 11.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.022 0.929 . . . . 0.0 112.17 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.47 144.41 28.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.413 1.085 . . . . 0.0 111.96 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -96.07 6.16 49.47 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.538 1.535 . . . . 0.0 113.378 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -80.33 -4.47 53.56 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 126.682 1.993 . . . . 0.0 114.612 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.152 1.781 . . . . 0.0 112.813 175.101 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 CA-C-O 119.732 -0.482 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -60.33 154.63 51.5 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 124.247 3.298 . . . . 0.0 114.482 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -168.6 147.63 11.55 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.691 1.139 . . . . 0.0 112.331 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 34.6 t -74.77 127.21 32.6 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.844 0.858 . . . . 0.0 112.43 -176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.2 mmm -134.08 148.78 51.07 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.662 1.985 . . . . 0.0 111.51 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 71.3 m -114.25 19.87 15.99 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.085 1.354 . . . . 0.0 113.262 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.57 132.82 52.72 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.803 0.841 . . . . 0.0 111.782 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.03 174.1 7.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.198 0.999 . . . . 0.0 113.446 -168.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.47 142.68 35.74 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.534 0.734 . . . . 0.0 110.705 152.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -96.14 141.99 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.13 0.972 . . . . 0.0 109.741 165.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -134.47 140.18 46.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.303 1.441 . . . . 0.0 111.675 175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.57 162.77 39.0 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.621 . . . . 0.0 111.703 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.1 m -118.65 133.68 55.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.704 1.201 . . . . 0.0 110.969 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -77.47 162.33 27.26 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.42 1.488 . . . . 0.0 112.802 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.16 68.68 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.064 0.946 . . . . 0.0 112.759 166.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -70.14 -10.29 58.33 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.15 1.78 . . . . 0.0 113.737 173.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.7 5.28 90.08 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 125.187 1.375 . . . . 0.0 114.289 -168.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.4 172.25 55.03 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.567 1.08 . . . . 0.0 112.841 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -117.7 146.09 43.97 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.769 1.228 . . . . 0.0 111.54 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -134.29 140.14 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.368 1.467 . . . . 0.0 109.689 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -138.8 152.54 47.98 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.933 1.293 . . . . 0.0 113.231 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 39.1 mt -130.68 127.19 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.087 1.755 . . . . 0.0 108.45 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.02 171.73 27.42 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.678 1.132 . . . . 0.0 113.676 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 55.54 37.37 28.79 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.703 1.601 . . . . 0.0 114.461 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.41 121.94 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.701 1.6 . . . . 0.0 112.0 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -87.84 -32.4 19.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.728 0.811 . . . . 0.0 112.994 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -153.85 154.06 33.24 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -134.74 141.99 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.795 2.038 . . . . 0.0 109.503 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -135.12 132.3 37.93 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.354 1.062 . . . . 0.0 111.084 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.05 110.33 22.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 110.043 170.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -89.89 172.61 8.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.616 1.566 . . . . 0.0 110.968 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.26 47.03 1.32 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.134 1.349 . . . . 0.0 114.75 176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.01 -3.09 0.13 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 125.011 1.291 . . . . 0.0 115.886 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 160.7 25.45 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.546 1.673 . . . . 0.0 112.173 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.95 144.63 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.731 0.812 . . . . 0.0 110.751 163.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -122.93 146.96 47.14 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.433 1.893 . . . . 0.0 110.694 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 48.7 t -137.06 131.85 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 126.014 1.725 . . . . 0.0 109.815 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 74.9 m -125.99 129.65 49.63 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.983 0.913 . . . . 0.0 112.096 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 41.9 p -90.73 169.0 11.33 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.03 1.332 . . . . 0.0 114.217 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -56.13 -21.9 25.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.407 2.283 . . . . 0.0 114.283 170.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -106.9 19.18 20.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.885 1.674 . . . . 0.0 113.498 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 61.54 13.58 5.26 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.205 2.202 . . . . 0.0 115.675 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -76.12 142.71 41.58 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.892 -1.13 . . . . 0.0 110.716 167.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -122.1 143.01 49.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.307 1.443 . . . . 0.0 111.778 -178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -129.95 151.29 50.66 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.375 1.87 . . . . 0.0 109.938 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.45 148.22 35.78 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -139.18 102.95 7.35 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 125.724 1.61 . . . . 0.0 111.007 -170.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -69.23 145.21 59.46 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.135 2.557 . . . . 0.0 112.383 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.64 3.18 78.23 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.887 1.232 . . . . 0.0 115.731 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.33 163.56 13.02 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.771 1.285 . . . . 0.0 112.505 171.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.89 160.6 38.86 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.613 2.365 . . . . 0.0 109.704 168.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.25 119.72 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.96 -41.74 3.23 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.545 1.069 . . . . 0.0 114.857 -175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -150.12 145.6 26.42 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.444 1.098 . . . . 0.0 112.083 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.3 t -133.33 114.12 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 126.214 1.806 . . . . 0.0 108.883 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -109.59 98.28 7.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.961 1.305 . . . . 0.0 110.792 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.64 -30.92 69.73 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.529 -0.732 . . . . 0.0 111.863 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -64.43 -18.54 64.82 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 29.6 m -122.28 -18.28 6.86 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.624 1.17 . . . . 0.0 113.935 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.56 42.18 73.45 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.837 0.732 . . . . 0.0 112.775 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.6 t -125.47 134.26 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 124.498 1.119 . . . . 0.0 111.027 -175.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.1 mt -125.35 117.31 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.289 1.436 . . . . 0.0 109.063 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 29.3 t -103.4 129.89 50.6 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.725 1.21 . . . . 0.0 111.384 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.7 mt -99.34 150.49 22.07 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.18 0.992 . . . . 0.0 112.206 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -135.4 161.45 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.311 1.844 . . . . 0.0 111.52 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.78 118.87 14.11 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 111.607 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -59.49 129.49 42.22 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.497 1.519 . . . . 0.0 113.431 -175.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -91.32 0.66 57.48 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -172.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -75.93 -21.07 57.43 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.436 1.094 . . . . 0.0 113.77 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 126.15 1.78 . . . . 0.0 113.38 -176.177 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 CA-C-O 119.786 -0.452 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -59.48 -16.88 38.03 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 124.831 3.687 . . . . 0.0 117.093 -171.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -71.54 -18.41 77.08 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 124.273 0.939 . . . . 0.0 114.419 173.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 70.8 p -81.66 164.56 21.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.768 1.227 . . . . 0.0 112.386 174.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -146.86 166.44 26.7 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.35 1.46 . . . . 0.0 111.879 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.9 t -139.43 168.89 18.81 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.243 1.817 . . . . 0.0 110.897 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 ptm -148.18 150.58 34.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.767 1.627 . . . . 0.0 110.754 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.43 -179.15 5.5 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.5 1.52 . . . . 0.0 112.527 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -109.06 143.91 37.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.655 0.782 . . . . 0.0 111.732 161.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.5 t -91.12 143.09 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.359 1.464 . . . . 0.0 110.115 169.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -135.75 137.6 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.714 1.206 . . . . 0.0 111.024 169.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.76 166.32 31.72 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.029 1.732 . . . . 0.0 111.59 -176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m -135.84 132.41 36.58 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.149 0.98 . . . . 0.0 111.077 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -67.93 163.1 22.81 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.831 1.653 . . . . 0.0 112.73 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.38 -27.06 68.81 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.234 1.014 . . . . 0.0 112.658 170.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -74.0 -5.47 41.6 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.519 1.928 . . . . 0.0 114.293 172.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.72 6.19 85.72 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.61 1.576 . . . . 0.0 114.751 -176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.29 115.95 4.3 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 118.181 0.99 . . . . 0.0 112.324 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -80.59 139.84 36.07 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.901 0.88 . . . . 0.0 111.498 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.9 t -134.51 140.68 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 126.371 1.868 . . . . 0.0 110.045 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -137.51 135.14 36.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.829 1.652 . . . . 0.0 110.378 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -131.05 117.78 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.19 1.396 . . . . 0.0 109.093 -174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.03 167.5 39.96 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.373 0.987 . . . . 0.0 114.22 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 55.93 35.1 24.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.067 1.747 . . . . 0.0 114.863 171.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.2 129.92 36.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.581 1.552 . . . . 0.0 111.11 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.7 mt -97.52 -30.23 13.0 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.1 0.96 . . . . 0.0 113.308 174.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -157.31 150.51 23.73 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -139.17 139.41 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.973 1.709 . . . . 0.0 110.077 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -125.35 147.9 48.96 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.188 1.795 . . . . 0.0 110.146 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.58 105.5 12.52 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.219 1.408 . . . . 0.0 108.854 165.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -72.91 176.8 5.36 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.911 1.284 . . . . 0.0 110.873 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.31 43.06 0.84 Allowed Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.83 1.205 . . . . 0.0 115.675 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 159.26 -6.5 0.13 Allowed Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.412 1.325 . . . . 0.0 116.412 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.16 152.36 22.38 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.394 1.597 . . . . 0.0 111.942 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.9 m -93.77 157.49 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 O-C-N 121.704 -0.623 . . . . 0.0 112.382 167.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -134.18 135.55 43.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 127.151 2.18 . . . . 0.0 110.084 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.0 t -129.1 134.8 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.942 2.097 . . . . 0.0 109.788 -173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.4 m -130.56 130.68 44.39 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.715 0.806 . . . . 0.0 112.557 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.3 p -91.82 166.94 12.49 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.94 -28.14 55.56 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.777 2.031 . . . . 0.0 113.32 170.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -100.09 18.29 18.98 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.665 1.586 . . . . 0.0 113.101 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.6 t0 60.33 28.57 18.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.888 2.075 . . . . 0.0 114.7 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -79.57 140.75 37.08 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.128 -0.982 . . . . 0.0 110.197 164.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -116.08 136.34 53.11 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.848 1.259 . . . . 0.0 111.398 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -130.49 141.87 50.49 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.605 1.562 . . . . 0.0 109.607 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.09 143.62 30.51 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.312 0.645 . . . . 0.0 112.666 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -144.55 114.02 5.15 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.351 1.06 . . . . 0.0 111.394 -169.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.86 151.52 84.82 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.007 2.471 . . . . 0.0 113.876 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.97 12.27 83.41 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.859 1.218 . . . . 0.0 115.784 171.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 161.42 15.06 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.464 1.132 . . . . 0.0 113.001 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 164.25 30.67 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.054 2.142 . . . . 0.0 110.71 166.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.0 mt -74.33 121.83 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.13 -0.982 . . . . 0.0 109.503 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.79 -38.4 3.9 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.777 1.18 . . . . 0.0 114.227 -177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.97 148.37 32.69 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.149 1.38 . . . . 0.0 111.916 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.0 t -128.59 119.47 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.031 1.732 . . . . 0.0 107.659 167.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -129.02 100.17 5.55 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.609 1.163 . . . . 0.0 110.196 -174.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.6 mt -85.96 -13.48 47.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.723 1.209 . . . . 0.0 113.438 -174.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -70.69 -46.86 62.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.729 1.212 . . . . 0.0 110.96 167.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.54 -32.19 47.83 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.826 1.25 . . . . 0.0 113.626 176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.74 41.78 10.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.718 1.151 . . . . 0.0 112.914 -172.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.1 141.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 125.165 1.386 . . . . 0.0 111.538 -172.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -119.13 122.4 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 126.152 1.781 . . . . 0.0 108.173 171.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.5 m -109.0 128.07 54.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.04 0.936 . . . . 0.0 110.899 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.4 mt -106.85 148.27 28.75 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.665 1.186 . . . . 0.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -136.24 160.25 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 126.248 1.819 . . . . 0.0 111.097 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.21 119.58 13.71 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.492 0.717 . . . . 0.0 112.401 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -68.58 107.81 3.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.923 1.289 . . . . 0.0 110.219 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -90.05 12.11 18.69 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.198 0.999 . . . . 0.0 113.22 -173.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -74.79 -17.24 60.65 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.146 1.778 . . . . 0.0 112.497 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.529 1.931 . . . . 0.0 112.623 178.826 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 119.763 -0.465 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.11 -24.61 20.13 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.487 2.791 . . . . 0.0 113.904 -177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 66.48 -163.74 42.58 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.526 1.06 . . . . 0.0 113.853 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 37.9 m -67.48 136.65 54.95 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.116 0.966 . . . . 0.0 111.989 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -154.66 169.22 24.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.52 1.528 . . . . 0.0 111.145 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 74.1 m -138.3 169.28 18.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.136 1.375 . . . . 0.0 111.808 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.13 161.03 40.48 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.375 1.47 . . . . 0.0 110.492 167.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.12 178.72 6.86 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.228 1.411 . . . . 0.0 112.367 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -110.08 137.32 48.0 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 111.582 164.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 t -89.94 143.53 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.683 1.193 . . . . 0.0 110.095 172.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 p -127.72 136.3 60.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.435 1.494 . . . . 0.0 110.205 166.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -149.58 162.8 39.47 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.104 1.362 . . . . 0.0 111.76 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 42.3 m -134.69 130.1 35.78 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.899 0.88 . . . . 0.0 110.525 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -66.67 163.23 19.44 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.384 1.474 . . . . 0.0 112.509 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 -26.54 67.93 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.913 0.885 . . . . 0.0 113.1 171.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -77.31 -4.23 43.98 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.1 1.76 . . . . 0.0 114.003 172.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.29 6.5 78.06 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.564 1.554 . . . . 0.0 114.763 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.63 115.04 4.06 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 118.614 1.207 . . . . 0.0 112.829 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -81.87 139.18 34.85 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.605 1.162 . . . . 0.0 112.171 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t -139.26 146.05 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.08 1.752 . . . . 0.0 110.691 -173.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -127.42 148.16 50.29 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.018 1.327 . . . . 0.0 111.96 172.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.3 mt -135.47 120.68 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.183 1.393 . . . . 0.0 109.107 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.31 168.83 37.15 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.53 1.062 . . . . 0.0 114.304 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 56.96 29.5 16.45 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.447 1.499 . . . . 0.0 114.955 173.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 99.7 t -75.04 124.71 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.88 1.272 . . . . 0.0 110.828 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 30.0 tp -94.49 -34.85 12.54 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.528 1.531 . . . . 0.0 112.426 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -156.47 154.04 29.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 122.101 0.953 . . . . 0.0 112.926 176.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t -138.32 138.42 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.607 1.963 . . . . 0.0 109.503 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -136.77 120.59 17.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.03 110.14 20.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.644 1.178 . . . . 0.0 110.478 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -87.85 -176.54 5.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.741 1.616 . . . . 0.0 110.9 175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.15 52.17 Favored Glycine 0 CA--C 1.542 1.776 0 O-C-N 120.609 -1.307 . . . . 0.0 116.203 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.58 18.09 0.21 Allowed Glycine 0 CA--C 1.539 1.56 0 CA-C-N 118.43 1.115 . . . . 0.0 115.166 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 158.53 33.49 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.999 1.399 . . . . 0.0 111.911 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.9 138.68 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.554 0.742 . . . . 0.0 111.362 163.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -106.83 140.0 40.36 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.747 2.019 . . . . 0.0 110.171 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 95.3 t -131.42 122.15 50.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 126.498 1.919 . . . . 0.0 109.495 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.4 m -126.58 131.73 51.46 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.977 0.911 . . . . 0.0 112.172 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.9 p -91.85 161.29 14.91 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.288 1.435 . . . . 0.0 112.348 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -72.3 -4.09 27.64 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 171.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.35 7.48 38.31 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.231 1.412 . . . . 0.0 113.016 168.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.6 t0 62.49 18.33 10.31 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.148 2.179 . . . . 0.0 114.463 -177.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.6 138.13 37.34 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.874 -1.141 . . . . 0.0 110.152 163.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -132.37 143.42 49.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.727 1.211 . . . . 0.0 111.763 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -127.08 149.39 49.95 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.407 1.883 . . . . 0.0 109.97 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.85 142.03 42.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.987 0.915 . . . . 0.0 112.502 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -138.95 94.69 9.89 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.155 1.382 . . . . 0.0 111.165 -169.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -59.15 144.55 99.34 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.243 2.629 . . . . 0.0 113.01 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.84 12.99 82.88 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.618 1.104 . . . . 0.0 115.251 176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -110.02 164.4 12.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.723 1.209 . . . . 0.0 112.837 174.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.38 162.54 35.22 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.056 2.142 . . . . 0.0 110.461 165.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.15 123.58 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 120.862 -1.149 . . . . 0.0 109.087 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.85 -35.44 4.01 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.433 1.016 . . . . 0.0 114.397 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -148.73 156.81 42.88 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 118.502 1.151 . . . . 0.0 112.163 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.39 124.27 10.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 110.179 164.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -120.51 86.96 2.66 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.273 1.829 . . . . 0.0 109.462 -177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.8 mt -69.2 -23.16 63.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.756 0.822 . . . . 0.0 112.206 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -58.83 -28.55 66.15 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.041 1.736 . . . . 0.0 113.03 167.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -108.84 -24.29 11.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.023 1.729 . . . . 0.0 113.921 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.96 38.22 20.03 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.754 1.168 . . . . 0.0 113.208 -172.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.58 140.83 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.789 1.236 . . . . 0.0 112.268 -172.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 73.8 mt -123.39 130.5 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 126.533 1.933 . . . . 0.0 108.929 172.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.0 m -111.28 128.9 56.08 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.075 0.95 . . . . 0.0 111.015 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -98.86 152.31 19.88 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.841 0.856 . . . . 0.0 111.789 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -130.5 162.51 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.456 1.902 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.12 114.61 16.11 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.877 0.871 . . . . 0.0 110.98 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -74.35 146.36 43.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.777 0.831 . . . . 0.0 111.593 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -144.89 36.65 1.15 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.007 1.723 . . . . 0.0 111.827 -166.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -69.6 -25.5 63.99 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.885 1.674 . . . . 0.0 114.081 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--O 1.254 1.325 0 C-N-CA 126.214 1.806 . . . . 0.0 112.138 -173.015 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -66.6 -25.21 47.53 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.66 2.907 . . . . 0.0 113.737 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.9 -10.5 84.97 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.683 1.135 . . . . 0.0 115.078 174.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 14.9 m -79.76 136.35 36.73 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.643 1.577 . . . . 0.0 110.141 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 ptm -162.08 158.59 25.06 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 130.679 3.592 . . . . 0.0 109.939 -7.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.0 m -113.95 171.7 7.44 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.56 1.144 . . . . 0.0 111.937 168.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.46 165.73 26.6 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.309 1.444 . . . . 0.0 110.058 163.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.06 168.46 19.69 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -91.56 139.17 30.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.912 1.685 . . . . 0.0 109.649 163.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.89 141.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.104 1.362 . . . . 0.0 109.765 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.64 143.78 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.239 1.016 . . . . 0.0 112.745 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -150.97 165.73 32.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.162 2.185 . . . . 0.0 110.776 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 m -134.42 132.05 38.89 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.462 0.705 . . . . 0.0 111.495 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -71.56 161.08 31.58 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.872 1.669 . . . . 0.0 112.847 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.79 -27.11 68.96 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.489 1.116 . . . . 0.0 113.117 172.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -72.92 -6.11 42.99 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.795 1.638 . . . . 0.0 113.906 171.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.43 6.09 74.51 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.758 1.647 . . . . 0.0 114.264 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.97 122.75 6.26 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-N 118.575 1.188 . . . . 0.0 112.181 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -77.15 146.7 36.96 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.116 0.958 . . . . 0.0 111.305 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -134.84 135.09 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 126.088 1.755 . . . . 0.0 108.777 177.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.41 152.83 44.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.024 0.93 . . . . 0.0 113.187 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.3 mt -131.74 124.29 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.1 1.76 . . . . 0.0 108.527 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.49 170.9 35.9 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.298 0.951 . . . . 0.0 113.51 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.05 31.67 20.99 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.2 t -75.13 131.53 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.948 1.699 . . . . 0.0 111.98 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.1 mt -99.45 -23.23 15.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.6 1.16 . . . . 0.0 114.024 173.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -152.59 146.81 25.51 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.59 130.13 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.426 1.891 . . . . 0.0 109.008 171.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -139.05 130.48 27.06 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.157 0.983 . . . . 0.0 111.656 -174.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.1 147.84 31.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.677 0.791 . . . . 0.0 110.974 171.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -130.06 -175.7 3.7 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.37 2.268 . . . . 0.0 110.713 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.58 75.86 0.21 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.762 1.172 . . . . 0.0 113.215 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.86 24.63 27.12 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.535 1.541 . . . . 0.0 115.27 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.33 169.12 24.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.902 1.281 . . . . 0.0 112.862 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.0 t -124.19 141.93 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 125.009 1.324 . . . . 0.0 111.04 167.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -114.73 146.84 40.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.089 2.156 . . . . 0.0 111.013 173.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.4 t -139.95 136.72 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 126.611 1.964 . . . . 0.0 109.472 -175.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.6 m -137.25 134.06 35.76 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.883 1.219 . . . . 0.0 112.998 175.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.9 p -87.79 169.68 11.86 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.918 1.687 . . . . 0.0 113.505 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.75 -12.15 57.54 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 171.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -83.33 3.16 32.75 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.909 1.283 . . . . 0.0 113.014 169.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 63.14 17.43 10.16 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.218 2.207 . . . . 0.0 114.415 -172.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -79.94 116.96 20.38 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.707 -1.245 . . . . 0.0 110.305 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -91.59 143.08 26.94 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.367 1.067 . . . . 0.0 112.146 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -133.43 148.24 51.76 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.902 2.081 . . . . 0.0 109.566 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.51 142.52 31.17 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.517 0.727 . . . . 0.0 112.472 -178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -138.53 109.82 8.07 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 125.166 1.386 . . . . 0.0 111.47 -170.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.22 149.51 45.84 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.013 2.475 . . . . 0.0 112.216 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.65 11.39 84.07 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 124.85 1.214 . . . . 0.0 115.302 174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.41 164.22 12.91 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.938 1.295 . . . . 0.0 112.652 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.25 161.84 35.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.32 2.248 . . . . 0.0 110.099 165.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -73.97 114.74 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.321 -0.862 . . . . 0.0 108.969 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.51 -55.14 2.1 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 124.171 0.891 . . . . 0.0 113.178 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -143.94 147.22 33.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.264 1.025 . . . . 0.0 111.683 -175.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.16 126.42 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.688 1.595 . . . . 0.0 108.836 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -135.96 103.74 5.47 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.148 0.979 . . . . 0.0 110.256 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.28 -30.09 54.14 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.214 1.406 . . . . 0.0 112.246 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -65.57 -41.58 92.74 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 0.0 111.39 174.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.5 t -80.26 -32.85 38.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.759 1.223 . . . . 0.0 113.177 172.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.28 32.24 29.01 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 125.529 1.538 . . . . 0.0 114.003 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.6 t -135.07 142.31 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.89 1.276 . . . . 0.0 111.834 -171.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 81.6 mt -126.13 132.05 70.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 127.368 2.267 . . . . 0.0 108.839 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -118.61 123.7 45.64 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.498 1.119 . . . . 0.0 111.274 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.64 152.62 20.16 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.419 1.088 . . . . 0.0 111.705 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.52 159.03 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.751 1.621 . . . . 0.0 111.809 -177.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -71.12 118.54 14.03 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.727 0.811 . . . . 0.0 111.661 -178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -70.5 131.23 43.71 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.12 0.968 . . . . 0.0 111.298 175.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -130.91 21.11 4.96 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.792 1.637 . . . . 0.0 112.571 -171.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -79.78 -30.89 40.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.991 1.716 . . . . 0.0 111.979 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.075 1.75 . . . . 0.0 114.094 176.026 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 CA-C-O 119.091 -0.838 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -60.05 -22.17 68.37 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.058 3.172 . . . . 0.0 115.731 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -73.6 -10.5 79.7 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.748 1.166 . . . . 0.0 114.669 172.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 15.0 m -125.68 -15.53 5.99 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.434 1.494 . . . . 0.0 114.212 -173.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptm -153.72 162.33 41.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.624 1.57 . . . . 0.0 112.221 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 45.0 t -117.42 157.52 26.07 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.275 1.43 . . . . 0.0 110.803 166.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -150.34 155.51 39.78 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.548 1.539 . . . . 0.0 110.527 167.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.34 172.21 11.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.921 1.289 . . . . 0.0 112.896 -171.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -106.64 134.24 50.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.519 1.128 . . . . 0.0 111.06 166.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 93.0 t -99.15 139.12 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.346 1.458 . . . . 0.0 109.931 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.88 139.38 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 111.813 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -151.43 164.75 36.04 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.532 1.933 . . . . 0.0 111.019 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m -133.08 132.37 41.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.991 0.916 . . . . 0.0 110.839 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -68.54 163.38 23.67 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.397 1.479 . . . . 0.0 112.448 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.05 -26.39 68.82 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.271 1.029 . . . . 0.0 112.664 168.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -72.36 -7.6 50.51 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.078 1.751 . . . . 0.0 114.168 171.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.69 6.88 82.48 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.547 1.546 . . . . 0.0 114.74 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.51 122.3 5.83 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 117.761 0.78 . . . . 0.0 112.118 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.7 ttp-105 -79.76 142.03 35.76 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.788 1.294 . . . . 0.0 111.065 175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.2 t -130.17 135.57 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.011 1.724 . . . . 0.0 109.868 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -129.3 135.3 48.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.101 1.361 . . . . 0.0 110.444 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.7 mt -128.28 117.77 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.74 1.216 . . . . 0.0 109.071 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.14 165.83 34.7 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.21 0.909 . . . . 0.0 113.77 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 55.44 34.12 22.34 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.756 1.622 . . . . 0.0 114.291 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 75.0 t -74.96 125.59 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.121 1.369 . . . . 0.0 111.019 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.4 mt -85.73 -31.53 22.37 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.394 1.077 . . . . 0.0 112.767 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -162.19 149.86 14.26 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.111 0.964 . . . . 0.0 112.947 -172.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.49 152.21 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.827 1.651 . . . . 0.0 111.564 172.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -139.27 127.19 22.21 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.883 1.273 . . . . 0.0 111.388 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.89 138.11 34.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.56 1.144 . . . . 0.0 111.225 170.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -131.09 179.29 6.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.471 1.908 . . . . 0.0 110.861 -177.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.76 28.18 0.23 Allowed Glycine 0 CA--C 1.541 1.701 0 C-N-CA 126.026 1.774 . . . . 0.0 117.137 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.61 -0.1 0.04 OUTLIER Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.402 1.477 . . . . 0.0 115.896 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.69 164.51 33.91 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.144 1.972 . . . . 0.0 112.997 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 76.5 t -113.12 141.48 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 125.422 1.489 . . . . 0.0 111.059 164.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -114.5 147.86 38.74 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.741 2.016 . . . . 0.0 111.135 171.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -141.58 136.8 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 126.454 1.901 . . . . 0.0 110.099 -171.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -134.39 131.64 38.46 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 119.674 1.124 . . . . 0.0 113.373 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.9 p -86.25 172.37 10.54 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.4 tp -50.77 -29.92 12.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.985 2.514 . . . . 0.0 113.372 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -100.47 15.47 27.81 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.295 1.438 . . . . 0.0 113.003 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.02 21.26 10.38 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.957 2.103 . . . . 0.0 114.586 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.48 125.7 28.52 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 120.996 -1.065 . . . . 0.0 109.851 170.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -99.47 140.58 33.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.009 0.924 . . . . 0.0 112.334 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -128.82 150.23 50.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.122 1.769 . . . . 0.0 109.834 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.53 142.8 30.47 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.657 0.783 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -139.76 110.92 7.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.8 1.24 . . . . 0.0 111.404 -169.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.8 149.84 54.85 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.856 2.371 . . . . 0.0 112.637 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.66 6.94 88.85 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.393 1.473 . . . . 0.0 115.288 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 51.2 mt -104.43 164.28 11.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.608 1.204 . . . . 0.0 113.062 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.56 165.47 27.42 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.522 2.329 . . . . 0.0 110.068 162.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.1 mt -76.53 122.75 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 121.113 -0.992 . . . . 0.0 108.937 175.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.82 -39.14 3.93 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 124.133 0.873 . . . . 0.0 114.212 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -146.99 152.57 38.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.454 1.102 . . . . 0.0 112.335 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.15 138.18 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.351 1.46 . . . . 0.0 110.478 161.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -132.02 98.37 4.42 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.41 1.884 . . . . 0.0 108.672 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.411 ' H ' HD22 ' B' ' 53' ' ' LEU . 2.1 mm? -70.23 -27.49 64.51 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.301 1.44 . . . . 0.0 111.802 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.87 -41.83 86.63 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.711 1.604 . . . . 0.0 111.417 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 38.3 m -89.95 -23.35 21.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.77 1.228 . . . . 0.0 113.992 176.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.98 42.46 19.9 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.664 1.126 . . . . 0.0 112.963 -172.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -129.97 143.16 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.159 1.384 . . . . 0.0 112.271 -170.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.9 mt -127.81 136.18 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 127.001 2.12 . . . . 0.0 109.384 172.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 14.6 m -118.35 126.86 52.99 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 174.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 30.5 mt -94.93 153.74 17.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.827 0.851 . . . . 0.0 111.579 171.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.81 161.46 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 126.55 1.94 . . . . 0.0 111.128 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -75.89 117.33 17.51 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.294 1.038 . . . . 0.0 111.106 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -74.16 140.98 45.54 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.946 1.298 . . . . 0.0 112.052 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -109.81 11.86 24.19 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.603 1.561 . . . . 0.0 113.223 -175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -72.6 -27.66 62.31 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.981 1.312 . . . . 0.0 113.481 -177.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.673 1.589 . . . . 0.0 112.546 -176.901 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 CA-C-O 119.873 -0.404 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.51 160.64 48.41 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 124.083 3.189 . . . . 0.0 112.789 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -66.24 153.14 52.08 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.073 0.844 . . . . 0.0 113.552 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.9 t -153.2 165.48 35.54 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.327 1.451 . . . . 0.0 111.549 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -65.05 164.15 13.43 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.466 1.506 . . . . 0.0 113.86 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.8 t -133.0 165.52 24.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.807 2.043 . . . . 0.0 109.658 168.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -144.45 153.08 41.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.367 1.067 . . . . 0.0 111.56 169.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -128.57 -174.59 3.28 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.675 1.59 . . . . 0.0 112.007 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -122.23 137.03 54.98 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.84 0.856 . . . . 0.0 111.675 164.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.6 t -82.57 144.68 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.202 1.001 . . . . 0.0 110.133 173.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.0 p -136.87 138.0 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.312 1.445 . . . . 0.0 111.598 171.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -151.56 163.09 39.81 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.324 1.85 . . . . 0.0 109.963 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.0 m -135.06 134.0 39.91 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 121.353 -0.842 . . . . 0.0 111.755 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -69.08 162.56 26.68 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.171 1.788 . . . . 0.0 112.512 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.5 -27.14 69.06 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.267 1.027 . . . . 0.0 112.672 171.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -75.28 -4.08 37.02 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.0 1.72 . . . . 0.0 113.726 172.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.18 5.5 82.84 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.564 1.554 . . . . 0.0 114.505 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.05 118.67 4.85 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 118.327 1.064 . . . . 0.0 111.984 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 ttp-105 -78.99 143.49 35.66 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.282 1.041 . . . . 0.0 111.706 175.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.7 t -132.13 136.79 55.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.171 1.788 . . . . 0.0 108.839 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -137.37 149.27 46.86 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.568 1.147 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.4 mt -130.76 120.68 48.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.287 1.435 . . . . 0.0 108.825 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.56 165.9 37.4 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.938 0.78 . . . . 0.0 114.148 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 54.07 39.43 30.61 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.229 1.812 . . . . 0.0 113.687 174.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.54 127.65 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 126.084 1.754 . . . . 0.0 111.26 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.2 mt -93.23 -36.17 12.73 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.255 1.022 . . . . 0.0 112.508 170.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -136.96 144.19 43.25 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.875 0.761 . . . . 0.0 112.889 -170.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.59 129.89 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.202 1.401 . . . . 0.0 108.883 173.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -136.57 119.83 16.75 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.94 0.896 . . . . 0.0 111.457 -169.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.6 135.74 36.12 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.275 0.56 . . . . 0.0 110.353 167.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -133.41 -169.46 2.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.009 1.724 . . . . 0.0 110.811 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.37 73.96 0.3 Allowed Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.272 1.415 . . . . 0.0 113.794 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.89 18.3 32.52 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.662 1.601 . . . . 0.0 114.978 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.84 164.28 38.72 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.954 1.377 . . . . 0.0 112.597 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.9 t -113.44 136.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 124.197 0.999 . . . . 0.0 110.684 163.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -107.97 151.79 25.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.564 1.945 . . . . 0.0 110.894 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.9 t -140.53 133.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.146 1.778 . . . . 0.0 110.107 -175.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.2 m -124.84 130.72 52.93 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.398 0.999 . . . . 0.0 111.989 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 p -88.53 167.65 13.24 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.134 1.374 . . . . 0.0 113.702 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 tt -55.5 -28.75 56.5 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.793 1.637 . . . . 0.0 113.411 169.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -85.89 7.15 25.23 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.903 1.681 . . . . 0.0 113.335 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 61.92 18.22 9.64 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.334 1.854 . . . . 0.0 114.697 -174.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -78.13 152.13 32.97 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.159 -0.963 . . . . 0.0 110.988 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -128.13 140.05 52.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.235 1.014 . . . . 0.0 112.369 -175.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -127.06 151.46 48.58 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.912 1.685 . . . . 0.0 109.487 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.07 143.76 30.6 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.768 0.827 . . . . 0.0 112.493 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -137.73 111.55 8.89 Favored Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 125.474 1.51 . . . . 0.0 111.084 -171.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -71.36 147.9 53.76 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 122.495 2.13 . . . . 0.0 112.201 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.04 2.8 83.62 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.535 1.54 . . . . 0.0 115.611 171.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.3 mt -94.74 166.1 12.16 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.254 1.527 . . . . 0.0 112.945 174.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.26 162.22 35.52 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.784 2.434 . . . . 0.0 110.588 165.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -75.5 121.33 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 120.983 -1.073 . . . . 0.0 109.543 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.29 -43.43 3.23 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.409 1.004 . . . . 0.0 114.052 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -151.41 147.07 26.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.548 1.139 . . . . 0.0 112.38 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.3 t -126.77 130.41 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.818 2.047 . . . . 0.0 108.599 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -134.81 103.18 5.51 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.936 1.295 . . . . 0.0 110.123 -174.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.81 -27.1 44.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.421 1.488 . . . . 0.0 112.239 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.2 ttp85 -67.0 -49.19 66.13 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.868 0.867 . . . . 0.0 110.929 176.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.1 t -85.76 -23.08 27.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.51 1.124 . . . . 0.0 113.772 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.84 45.86 11.82 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.73 1.157 . . . . 0.0 113.304 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -133.87 142.79 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.595 1.158 . . . . 0.0 111.445 -173.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.8 mt -126.66 124.92 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.63 1.572 . . . . 0.0 109.176 172.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 t -109.41 128.58 55.24 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.021 1.328 . . . . 0.0 111.574 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.1 mt -101.46 150.08 23.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.363 1.065 . . . . 0.0 111.984 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -136.59 161.58 36.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.979 1.712 . . . . 0.0 110.909 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -72.0 118.98 15.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.521 1.128 . . . . 0.0 111.535 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -63.49 123.59 19.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.182 1.393 . . . . 0.0 111.804 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -90.64 4.56 51.04 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -72.28 -22.58 61.19 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.726 1.21 . . . . 0.0 114.222 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 92.5 mtm-85 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.206 1.402 . . . . 0.0 112.839 -178.213 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 CA-C-O 119.814 -0.437 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -64.36 -30.49 63.05 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.342 2.695 . . . . 0.0 114.836 -174.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 73.74 -1.69 44.44 Favored Glycine 0 CA--C 1.543 1.822 0 C-N-CA 125.005 1.288 . . . . 0.0 115.726 -178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 33.0 t -156.47 150.93 25.57 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.467 1.907 . . . . 0.0 110.525 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -152.25 163.66 38.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.207 1.403 . . . . 0.0 112.162 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 79.0 m -129.52 170.6 13.52 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.149 1.78 . . . . 0.0 111.159 173.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -146.21 151.63 37.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.587 1.155 . . . . 0.0 110.561 163.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.7 177.42 5.98 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.199 1.399 . . . . 0.0 112.649 -171.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 132.71 56.49 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.414 1.085 . . . . 0.0 111.46 167.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.88 144.93 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 125.929 1.691 . . . . 0.0 110.342 173.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.48 140.54 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.161 1.384 . . . . 0.0 112.182 174.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -150.03 165.16 33.56 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.994 2.118 . . . . 0.0 110.639 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -134.67 134.77 41.5 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.515 0.726 . . . . 0.0 111.406 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -66.4 163.54 18.09 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.9 1.68 . . . . 0.0 112.401 175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.8 68.93 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.129 0.972 . . . . 0.0 112.939 170.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -76.23 -4.26 40.87 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.072 1.749 . . . . 0.0 114.206 172.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.71 6.54 82.82 Favored Glycine 0 CA--C 1.539 1.568 0 C-N-CA 125.259 1.409 . . . . 0.0 114.613 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.63 119.59 5.15 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-N 118.347 1.073 . . . . 0.0 111.962 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.1 ttp-105 -79.59 143.25 34.93 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.415 1.107 . . . . 0.0 111.617 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t -132.72 139.68 49.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 126.352 1.861 . . . . 0.0 109.735 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -136.82 149.05 47.51 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.861 1.264 . . . . 0.0 112.213 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.3 mt -132.33 121.23 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.659 1.583 . . . . 0.0 108.727 175.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.22 170.13 33.98 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.23 0.919 . . . . 0.0 114.236 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 57.44 33.63 23.54 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.99 1.716 . . . . 0.0 114.634 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.1 t -75.84 129.14 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.287 1.835 . . . . 0.0 111.469 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.3 mt -92.06 -29.94 16.29 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.603 1.161 . . . . 0.0 113.511 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -154.91 155.47 34.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.19 131.9 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.908 1.683 . . . . 0.0 109.409 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -119.79 143.12 48.01 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.749 1.62 . . . . 0.0 110.447 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.6 136.27 53.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.795 1.238 . . . . 0.0 112.21 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -102.96 179.72 4.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.368 1.867 . . . . 0.0 110.407 168.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.6 -13.54 45.87 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.856 -1.153 . . . . 0.0 115.42 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.06 32.77 0.29 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.952 1.263 . . . . 0.0 114.402 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.48 166.19 25.22 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.519 1.528 . . . . 0.0 112.11 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.2 m -129.51 160.48 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 164.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -132.66 140.21 48.05 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.888 2.075 . . . . 0.0 110.283 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 79.6 t -131.47 131.95 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.961 2.104 . . . . 0.0 110.058 -171.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -132.94 134.7 44.88 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 124.142 0.977 . . . . 0.0 112.589 -175.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 25.9 p -103.28 167.78 9.6 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.742 1.617 . . . . 0.0 112.929 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.74 -9.61 51.69 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -82.68 4.37 25.23 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.105 1.362 . . . . 0.0 113.587 171.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 62.46 15.61 7.95 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.778 2.031 . . . . 0.0 114.29 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -77.41 148.5 35.45 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.925 -1.109 . . . . 0.0 111.366 168.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -137.26 141.47 41.99 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.615 1.166 . . . . 0.0 112.012 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -127.0 148.65 50.1 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.568 1.947 . . . . 0.0 110.031 176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.53 144.27 34.22 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.884 0.874 . . . . 0.0 112.319 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -140.14 104.24 6.69 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 124.898 1.279 . . . . 0.0 111.131 -171.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -70.45 143.41 47.43 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.457 2.105 . . . . 0.0 111.792 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.13 4.65 88.16 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.586 1.565 . . . . 0.0 114.62 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.0 mt -103.56 161.75 13.62 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.658 1.229 . . . . 0.0 112.109 172.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.28 161.62 35.27 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.911 2.085 . . . . 0.0 110.258 164.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.39 115.55 8.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 173.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.39 -68.63 1.31 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 123.981 0.8 . . . . 0.0 112.516 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 76.2 mtt85 -140.95 141.84 34.42 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 111.878 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.54 132.86 69.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 127.256 2.223 . . . . 0.0 109.028 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -140.54 90.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 124.861 1.265 . . . . 0.0 108.827 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.53 -13.24 60.35 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.282 1.033 . . . . 0.0 113.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -71.4 -40.19 70.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.123 0.969 . . . . 0.0 110.852 172.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -83.05 -28.87 29.28 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.189 1.396 . . . . 0.0 113.69 168.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.93 30.31 23.67 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 126.006 1.765 . . . . 0.0 113.976 -174.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.9 t -118.08 142.6 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.836 1.654 . . . . 0.0 112.405 -169.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.8 mt -123.3 112.17 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.565 1.546 . . . . 0.0 109.038 168.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -96.24 121.61 38.21 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.22 1.408 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 73.4 mt -90.33 151.71 21.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.22 159.02 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.716 1.606 . . . . 0.0 111.409 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.59 117.09 16.99 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.042 0.937 . . . . 0.0 111.469 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -77.91 139.35 39.22 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.188 0.995 . . . . 0.0 111.777 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -97.9 5.99 48.28 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.244 1.418 . . . . 0.0 114.065 -170.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -75.56 -24.8 56.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.322 1.449 . . . . 0.0 114.033 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 . . . . . 0 C--O 1.249 1.061 0 C-N-CA 125.069 1.347 . . . . 0.0 112.165 175.655 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.198 -0.361 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.19 156.43 65.77 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.057 3.171 . . . . 0.0 112.68 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.98 148.64 44.89 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 123.872 0.748 . . . . 0.0 113.92 177.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 38.4 m -70.17 152.35 44.37 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.65 1.18 . . . . 0.0 113.122 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptm -156.14 166.67 32.77 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.981 1.712 . . . . 0.0 111.266 173.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.6 m -128.06 160.64 31.32 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.9 1.28 . . . . 0.0 111.621 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -150.76 160.09 44.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.272 1.429 . . . . 0.0 110.656 168.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.03 -179.43 5.7 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.866 1.266 . . . . 0.0 112.643 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -104.32 145.03 30.83 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 157.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 t -88.07 143.28 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.94 0.896 . . . . 0.0 109.484 163.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.01 138.95 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.492 1.517 . . . . 0.0 110.554 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -147.78 159.98 43.23 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.052 1.741 . . . . 0.0 110.703 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 m -131.28 129.69 41.84 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.507 0.723 . . . . 0.0 111.021 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -71.77 165.3 24.35 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.993 1.717 . . . . 0.0 112.887 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.03 -25.38 66.87 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.305 1.042 . . . . 0.0 112.782 167.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -68.7 -10.93 59.27 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.772 1.629 . . . . 0.0 113.575 172.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.24 7.46 88.45 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.897 1.237 . . . . 0.0 113.715 -168.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.44 123.77 6.29 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 118.501 1.151 . . . . 0.0 111.992 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -81.39 143.15 32.36 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 118.115 0.957 . . . . 0.0 111.338 175.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.5 t -134.52 139.49 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.447 1.899 . . . . 0.0 109.692 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -134.87 147.45 49.87 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.829 1.252 . . . . 0.0 112.107 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -134.22 120.72 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 125.591 1.556 . . . . 0.0 108.83 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.88 167.33 36.41 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.777 1.18 . . . . 0.0 115.095 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 54.27 34.99 21.69 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.385 1.874 . . . . 0.0 114.527 173.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.65 126.08 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.299 1.439 . . . . 0.0 111.254 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 73.6 mt -87.9 -37.01 16.83 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.121 0.969 . . . . 0.0 112.367 170.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.44 151.75 34.53 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -168.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.59 137.23 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.927 1.691 . . . . 0.0 109.392 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -130.6 124.57 32.04 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.239 1.815 . . . . 0.0 110.385 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.82 48.54 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.602 1.161 . . . . 0.0 111.581 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -86.59 -174.4 4.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.79 1.636 . . . . 0.0 111.001 168.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.7 -14.96 53.17 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.864 -1.147 . . . . 0.0 114.988 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.21 37.51 0.17 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.566 1.079 . . . . 0.0 114.031 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.33 162.72 33.55 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.056 1.742 . . . . 0.0 110.895 177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.88 140.89 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 124.366 1.066 . . . . 0.0 111.711 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -119.19 145.51 45.96 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.238 2.215 . . . . 0.0 110.594 173.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.4 t -140.16 131.83 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 125.783 1.633 . . . . 0.0 109.649 -169.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.8 m -131.44 134.12 45.88 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 120.089 1.313 . . . . 0.0 113.483 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.6 p -85.49 172.09 11.26 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.692 1.597 . . . . 0.0 114.707 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -51.96 -26.08 9.69 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.647 2.379 . . . . 0.0 113.755 168.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -103.55 18.0 22.83 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 113.158 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 62.04 16.75 8.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.276 2.231 . . . . 0.0 114.935 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -78.7 117.44 19.84 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.146 -0.971 . . . . 0.0 110.359 174.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -95.1 142.15 27.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.894 0.878 . . . . 0.0 112.368 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -124.63 151.47 44.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 127.246 2.219 . . . . 0.0 109.493 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.55 139.75 31.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.998 0.919 . . . . 0.0 112.679 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -142.59 111.15 5.8 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.38 1.472 . . . . 0.0 111.623 -171.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.68 150.95 51.47 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.846 2.364 . . . . 0.0 111.802 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.75 12.73 82.47 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.42 1.01 . . . . 0.0 114.989 173.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.7 mt -108.92 163.95 12.84 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.75 1.275 . . . . 0.0 113.121 176.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.36 163.67 33.07 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.021 2.128 . . . . 0.0 110.363 163.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -76.3 121.99 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.768 0.827 . . . . 0.0 109.586 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.8 -44.5 2.87 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.089 1.328 . . . . 0.0 114.174 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -150.06 145.15 26.21 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.399 1.08 . . . . 0.0 110.794 177.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.49 130.12 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.413 1.885 . . . . 0.0 108.44 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -138.33 99.65 3.91 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.692 0.797 . . . . 0.0 110.821 -165.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.56 -31.68 60.13 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.916 1.286 . . . . 0.0 111.526 178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -65.09 -40.59 94.82 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.878 1.671 . . . . 0.0 112.502 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.2 t -97.94 -21.02 17.09 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.39 52.1 5.75 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.77 1.176 . . . . 0.0 113.572 -176.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.9 t -141.21 144.63 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.233 1.413 . . . . 0.0 111.949 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.02 127.69 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.594 1.157 . . . . 0.0 109.643 161.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.1 t -106.12 126.5 52.29 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.762 1.225 . . . . 0.0 110.7 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -101.6 150.51 23.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.362 1.465 . . . . 0.0 111.928 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.25 159.36 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.729 1.612 . . . . 0.0 111.181 -178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -75.33 114.82 14.29 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.74 1.216 . . . . 0.0 111.556 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.39 140.18 31.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.91 0.884 . . . . 0.0 112.173 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -101.5 9.44 41.34 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.019 1.328 . . . . 0.0 113.518 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -74.74 -18.47 60.49 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.57 1.548 . . . . 0.0 113.588 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.3 mmm-85 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.42 1.488 . . . . 0.0 112.345 -178.516 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 118.7 -1.055 . . . . 0.0 111.357 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.92 157.99 31.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.064 3.176 . . . . 0.0 114.418 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 179.69 -170.25 41.53 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.112 1.339 . . . . 0.0 113.811 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 6.7 t 61.04 -174.82 0.12 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.119 1.768 . . . . 0.0 114.219 -176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 mtm 57.74 -174.56 0.08 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.389 2.276 . . . . 0.0 114.29 -171.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -122.36 153.99 38.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.794 1.238 . . . . 0.0 110.69 166.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 20.4 ptm -151.21 155.38 38.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.45 1.9 . . . . 0.0 110.101 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.65 -176.95 4.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.657 1.183 . . . . 0.0 112.496 -170.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -122.06 149.6 43.31 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.141 0.976 . . . . 0.0 112.86 165.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 39.6 t -95.39 144.65 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.587 1.155 . . . . 0.0 110.559 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.12 137.5 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.121 1.368 . . . . 0.0 111.314 170.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -148.29 161.55 41.29 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.338 1.855 . . . . 0.0 110.876 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 m -133.17 129.03 37.27 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.986 0.914 . . . . 0.0 110.486 173.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -68.15 165.14 18.85 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.777 1.631 . . . . 0.0 113.69 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.43 -26.96 67.12 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.496 1.118 . . . . 0.0 113.002 163.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -68.79 -11.62 60.58 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.073 1.749 . . . . 0.0 113.701 171.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.78 5.98 88.89 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.224 1.392 . . . . 0.0 113.95 -170.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.51 118.22 4.58 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 118.72 1.26 . . . . 0.0 112.113 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -77.27 136.91 38.54 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.073 0.949 . . . . 0.0 111.034 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 98.0 t -136.18 137.99 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 126.062 1.745 . . . . 0.0 109.852 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -134.69 148.01 50.23 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.426 1.09 . . . . 0.0 111.758 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 53.6 mt -130.18 118.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.918 1.287 . . . . 0.0 108.969 -177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.23 169.69 40.13 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.245 0.926 . . . . 0.0 114.209 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 57.0 34.81 25.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.757 1.623 . . . . 0.0 114.575 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.07 131.21 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.36 1.464 . . . . 0.0 111.082 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -98.94 -28.68 13.32 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.232 1.413 . . . . 0.0 113.418 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -158.92 159.33 34.81 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.5 t -133.66 137.32 52.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 127.313 2.245 . . . . 0.0 109.52 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -129.28 131.74 47.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.808 1.643 . . . . 0.0 111.135 -174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.65 129.36 41.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.074 0.95 . . . . 0.0 110.685 168.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -110.7 170.62 7.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.026 1.73 . . . . 0.0 110.527 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.07 33.46 0.52 Allowed Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.387 1.47 . . . . 0.0 115.538 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.06 -1.3 0.03 OUTLIER Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.857 1.694 . . . . 0.0 115.686 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.54 163.83 29.94 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.393 1.596 . . . . 0.0 112.18 -175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -106.42 144.54 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.246 1.018 . . . . 0.0 110.881 158.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -125.52 145.98 49.86 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.978 2.111 . . . . 0.0 110.467 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.22 134.86 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 125.479 1.512 . . . . 0.0 110.433 -169.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.8 m -122.06 129.81 52.73 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.124 0.969 . . . . 0.0 112.324 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.4 p -91.55 166.39 12.86 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.01 1.324 . . . . 0.0 113.394 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 59.6 tp -55.96 -25.68 44.83 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.953 2.101 . . . . 0.0 113.953 169.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -101.86 19.99 17.25 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.564 1.546 . . . . 0.0 113.648 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t0 60.46 25.62 15.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.027 2.131 . . . . 0.0 114.662 176.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.26 143.03 31.62 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.083 -1.01 . . . . 0.0 110.279 165.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -114.1 137.01 52.3 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.374 1.07 . . . . 0.0 111.565 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -118.82 150.78 39.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.801 1.64 . . . . 0.0 110.16 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -145.25 141.2 28.41 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.732 0.813 . . . . 0.0 112.737 -176.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -140.46 96.45 7.78 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 125.525 1.53 . . . . 0.0 111.629 -170.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.82 144.14 99.5 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.447 2.764 . . . . 0.0 113.144 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.23 5.59 85.47 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.04 1.305 . . . . 0.0 115.465 175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 42.3 mt -97.32 161.28 13.87 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.685 1.242 . . . . 0.0 112.742 170.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.83 158.06 45.13 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.386 2.275 . . . . 0.0 109.878 168.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.48 122.09 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.438 -0.788 . . . . 0.0 109.545 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -101.13 -42.67 2.36 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.541 1.067 . . . . 0.0 114.327 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -146.92 146.56 30.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.589 1.156 . . . . 0.0 112.526 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.31 137.48 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.403 1.881 . . . . 0.0 109.013 171.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -145.91 96.79 2.86 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.221 1.008 . . . . 0.0 109.973 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 51.9 mt -79.72 -19.32 49.13 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.086 1.355 . . . . 0.0 112.694 -175.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -69.81 -43.99 70.91 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.955 1.702 . . . . 0.0 110.302 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -78.52 -32.44 48.04 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.184 1.394 . . . . 0.0 112.999 174.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.15 36.66 17.36 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.073 1.321 . . . . 0.0 113.637 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.52 142.66 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 125.204 1.402 . . . . 0.0 112.673 -170.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.19 126.67 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.854 1.662 . . . . 0.0 109.509 168.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 28.9 m -107.66 132.81 52.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.748 1.219 . . . . 0.0 111.712 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.6 mt -101.86 154.82 18.58 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.347 1.059 . . . . 0.0 112.365 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.58 162.63 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 126.598 1.959 . . . . 0.0 111.5 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -72.21 121.45 19.37 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.165 -0.96 . . . . 0.0 111.662 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -62.13 126.74 28.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.244 1.417 . . . . 0.0 112.987 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -95.68 -0.74 51.27 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.689 1.196 . . . . 0.0 114.212 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.89 -30.39 61.28 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.46 1.504 . . . . 0.0 113.497 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.991 1.716 . . . . 0.0 112.681 -178.468 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.377 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -60.21 155.69 44.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.123 3.215 . . . . 0.0 114.632 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 175.99 -177.41 47.65 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.824 1.202 . . . . 0.0 112.877 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 61.1 p -67.4 143.48 56.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.124 0.97 . . . . 0.0 112.42 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.7 mmm -131.4 155.98 46.36 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.779 1.632 . . . . 0.0 112.469 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 63.1 m -130.46 156.06 45.4 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.81 1.644 . . . . 0.0 110.299 165.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.9 ptp -153.13 171.8 17.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.653 1.581 . . . . 0.0 110.979 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.53 177.68 7.76 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.83 1.252 . . . . 0.0 111.794 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -112.33 140.59 46.92 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.604 0.761 . . . . 0.0 110.607 157.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.9 t -88.18 142.0 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.622 1.169 . . . . 0.0 109.952 171.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.2 137.58 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.991 1.317 . . . . 0.0 110.819 166.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -152.64 165.48 35.1 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.927 1.691 . . . . 0.0 111.948 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -134.55 132.31 38.97 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.918 0.887 . . . . 0.0 111.366 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -68.08 163.24 22.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.432 1.493 . . . . 0.0 112.269 178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.12 -25.9 68.3 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.79 0.836 . . . . 0.0 113.088 169.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -75.32 -6.77 51.61 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.263 1.425 . . . . 0.0 113.312 171.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.18 6.69 74.51 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.528 1.537 . . . . 0.0 114.813 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.12 120.63 5.33 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-N 118.808 1.304 . . . . 0.0 112.184 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -85.42 141.31 30.06 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 118.466 1.133 . . . . 0.0 112.162 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.7 t -136.82 140.1 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 126.14 1.776 . . . . 0.0 109.897 -171.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -124.72 151.06 45.52 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.517 0.727 . . . . 0.0 112.557 168.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.1 mt -132.08 115.22 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.329 1.451 . . . . 0.0 107.966 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.22 168.54 42.73 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.488 1.042 . . . . 0.0 113.81 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 57.56 30.7 19.16 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.133 1.373 . . . . 0.0 114.69 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -72.62 129.13 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.503 1.121 . . . . 0.0 111.185 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.2 mt -99.61 -27.92 13.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.168 0.987 . . . . 0.0 113.137 175.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -156.81 158.45 36.82 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.368 0.986 . . . . 0.0 113.133 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.87 140.5 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 127.078 2.151 . . . . 0.0 110.162 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -128.92 132.5 47.67 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.019 2.127 . . . . 0.0 111.456 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.16 123.76 29.85 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.124 0.57 . . . . 0.0 110.486 163.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -94.81 174.2 7.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.931 1.693 . . . . 0.0 111.057 170.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.64 84.56 0.2 Allowed Glycine 0 CA--C 1.533 1.189 0 O-C-N 121.101 -1.0 . . . . 0.0 111.789 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.54 14.9 39.35 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.059 1.314 . . . . 0.0 116.199 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.55 170.29 22.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.008 1.404 . . . . 0.0 112.114 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.7 t -122.62 143.2 36.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.448 1.099 . . . . 0.0 110.921 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -121.51 146.16 47.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.645 1.978 . . . . 0.0 110.948 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.8 t -141.02 138.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 126.029 1.732 . . . . 0.0 109.566 -168.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 m -131.16 135.32 47.33 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 119.81 1.186 . . . . 0.0 113.155 176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.6 p -85.77 170.6 12.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.367 1.467 . . . . 0.0 113.879 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.5 tp -52.22 -28.26 17.84 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.134 2.173 . . . . 0.0 113.33 168.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -98.04 17.99 17.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.298 1.439 . . . . 0.0 113.239 -179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t0 60.81 22.88 12.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.973 2.109 . . . . 0.0 114.303 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -85.66 118.04 24.93 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.455 -0.778 . . . . 0.0 109.945 173.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -86.51 141.27 29.19 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.284 0.633 . . . . 0.0 112.166 174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -125.85 150.17 48.09 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.976 2.111 . . . . 0.0 109.698 172.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.66 139.57 29.64 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.886 0.874 . . . . 0.0 112.535 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -142.63 105.59 5.41 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.904 1.281 . . . . 0.0 111.895 -168.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -63.55 150.84 87.49 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 123.027 2.485 . . . . 0.0 113.581 175.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.62 5.84 86.4 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.699 1.143 . . . . 0.0 115.764 171.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.7 mt -97.29 163.53 12.86 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.538 1.169 . . . . 0.0 113.168 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.27 156.94 45.82 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.297 2.239 . . . . 0.0 110.259 167.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.66 113.31 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.256 -0.903 . . . . 0.0 109.064 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.08 -43.16 3.34 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.743 1.163 . . . . 0.0 114.648 -171.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -149.88 146.22 26.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.444 1.098 . . . . 0.0 111.539 178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.2 t -128.61 134.78 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.987 2.115 . . . . 0.0 108.916 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -142.24 106.33 4.75 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.172 1.389 . . . . 0.0 110.203 -178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.19 -26.59 33.22 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.968 1.307 . . . . 0.0 112.699 -174.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -70.96 -42.13 70.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.606 1.162 . . . . 0.0 111.431 174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -31.71 42.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.48 1.112 . . . . 0.0 112.871 174.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.55 44.96 8.96 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.751 1.167 . . . . 0.0 112.487 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.3 t -135.28 141.57 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.263 1.425 . . . . 0.0 112.078 -173.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.2 mt -123.83 125.26 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 126.295 1.838 . . . . 0.0 108.744 169.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -105.81 123.42 47.93 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.259 1.024 . . . . 0.0 110.988 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.1 mt -97.12 143.08 28.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.515 1.126 . . . . 0.0 110.984 172.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -129.35 159.98 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 125.691 1.596 . . . . 0.0 111.103 -174.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -70.43 116.9 11.29 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.595 1.158 . . . . 0.0 111.257 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.4 131.23 47.56 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.264 1.026 . . . . 0.0 111.124 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -84.6 0.1 51.35 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -174.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -78.6 -20.09 51.23 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.336 1.855 . . . . 0.0 113.353 176.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.291 1.837 . . . . 0.0 113.232 -173.402 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 CA-C-O 119.725 -0.486 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.88 156.97 30.52 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.417 3.411 . . . . 0.0 114.594 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -170.99 -125.63 0.82 Allowed Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.495 1.522 . . . . 0.0 110.987 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 40.6 m -64.58 -30.09 71.11 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.401 0.68 . . . . 0.0 112.273 170.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mtp -95.6 155.04 16.91 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.469 1.508 . . . . 0.0 112.324 165.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 6.0 m -130.73 157.36 43.02 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.321 1.848 . . . . 0.0 109.848 162.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.5 mtp -137.99 161.71 36.0 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.023 1.729 . . . . 0.0 110.763 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.21 177.09 7.94 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 124.569 1.147 . . . . 0.0 111.882 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -124.72 140.42 52.95 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.847 1.259 . . . . 0.0 111.482 165.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -94.4 142.39 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.308 1.443 . . . . 0.0 110.44 176.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -136.73 142.06 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.659 1.184 . . . . 0.0 112.242 172.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -150.93 160.98 43.56 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.388 1.875 . . . . 0.0 111.18 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 60.2 m -136.0 129.73 32.5 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.65 1.18 . . . . 0.0 110.598 170.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.11 163.74 24.1 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.489 1.516 . . . . 0.0 112.49 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.46 -26.31 67.81 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 170.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -76.93 -4.26 42.98 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.221 1.809 . . . . 0.0 113.736 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.21 6.17 81.88 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.335 1.445 . . . . 0.0 114.477 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.23 109.64 2.84 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 118.839 1.32 . . . . 0.0 112.101 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -79.9 140.29 36.78 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.385 1.093 . . . . 0.0 111.704 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.78 138.21 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.074 1.75 . . . . 0.0 109.896 177.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -140.18 132.53 28.38 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.788 1.635 . . . . 0.0 111.014 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -129.64 118.76 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 125.388 1.475 . . . . 0.0 109.549 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.75 174.1 35.76 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.732 1.158 . . . . 0.0 114.54 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 55.98 33.39 21.68 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.985 1.714 . . . . 0.0 114.733 175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -75.6 131.16 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.838 1.655 . . . . 0.0 110.59 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 59.1 mt -98.18 -30.52 12.59 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.288 1.035 . . . . 0.0 112.987 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -153.62 154.28 33.91 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.55 132.21 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 125.747 1.619 . . . . 0.0 109.129 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -117.0 142.28 47.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.08 1.752 . . . . 0.0 110.776 176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.6 115.43 30.5 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.15 0.98 . . . . 0.0 109.435 160.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -85.75 -175.08 5.46 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.572 1.949 . . . . 0.0 111.644 175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.97 -9.62 47.76 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.801 1.191 . . . . 0.0 115.995 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.34 14.07 0.15 Allowed Glycine 0 N--CA 1.48 1.571 0 CA-C-N 119.229 1.514 . . . . 0.0 115.599 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.01 169.89 23.3 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.483 1.513 . . . . 0.0 111.777 -174.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.9 m -112.01 155.51 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-O 121.27 0.557 . . . . 0.0 111.659 157.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -129.8 137.2 50.37 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.519 1.927 . . . . 0.0 110.245 175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 99.7 t -125.52 127.69 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.814 2.045 . . . . 0.0 109.484 -173.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 87.7 m -125.91 128.03 46.93 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 119.116 0.871 . . . . 0.0 112.161 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -95.02 165.53 12.39 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.669 1.588 . . . . 0.0 112.748 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.79 -12.64 50.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 173.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -81.32 3.21 24.99 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.269 1.428 . . . . 0.0 113.424 173.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 60.31 14.59 4.76 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.179 2.191 . . . . 0.0 114.016 -169.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -79.77 140.73 36.8 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.445 1.098 . . . . 0.0 111.14 169.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -120.68 141.75 50.12 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.24 1.416 . . . . 0.0 111.654 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -121.39 150.34 41.63 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.611 1.964 . . . . 0.0 110.062 171.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.35 142.86 31.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.457 0.703 . . . . 0.0 112.484 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -141.23 107.66 6.19 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 -172.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.92 147.27 49.25 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.954 2.436 . . . . 0.0 111.971 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.93 6.11 72.12 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.814 1.197 . . . . 0.0 115.774 174.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 41.2 mt -95.7 165.61 12.23 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.509 1.155 . . . . 0.0 112.028 169.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.85 159.99 41.11 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.381 2.272 . . . . 0.0 110.673 171.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -76.72 118.28 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.06 -37.7 4.04 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.394 0.997 . . . . 0.0 114.533 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.1 144.24 25.61 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 118.378 1.089 . . . . 0.0 111.365 -178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.91 131.69 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.741 1.616 . . . . 0.0 108.824 173.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -143.43 103.65 4.13 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.087 0.955 . . . . 0.0 110.436 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.6 -15.33 59.29 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.326 1.05 . . . . 0.0 112.695 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -70.19 -45.81 65.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.712 1.205 . . . . 0.0 110.36 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -81.56 -25.94 35.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.313 1.445 . . . . 0.0 113.056 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.2 41.5 38.64 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.803 1.192 . . . . 0.0 112.069 -171.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.76 139.08 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.522 1.129 . . . . 0.0 112.044 -171.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -121.31 120.27 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.051 1.74 . . . . 0.0 108.263 170.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 32.9 t -102.86 127.37 50.07 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.407 1.083 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.62 148.7 23.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.973 1.309 . . . . 0.0 112.09 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.46 159.86 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.141 1.776 . . . . 0.0 110.674 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -74.31 121.29 21.11 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.23 1.012 . . . . 0.0 110.817 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -63.78 124.35 21.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.13 0.972 . . . . 0.0 112.414 -174.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -85.51 4.54 35.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.679 1.192 . . . . 0.0 113.924 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -72.73 -24.2 60.94 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.19 1.396 . . . . 0.0 113.87 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 125.879 1.672 . . . . 0.0 113.226 -170.077 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 CA-C-O 119.932 -0.371 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -72.36 -20.14 24.55 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.235 3.29 . . . . 0.0 114.468 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 63.63 -142.44 46.81 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.329 0.966 . . . . 0.0 112.921 -176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 17.4 m -71.44 -13.05 61.71 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp -69.64 144.12 53.03 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.7 t -141.65 -179.98 6.49 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 128.055 2.542 . . . . 0.0 109.342 165.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.7 ptm -149.81 155.55 40.29 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.322 1.449 . . . . 0.0 110.901 176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.21 178.82 7.62 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.121 . . . . 0.0 112.785 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -123.18 138.09 54.73 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 111.958 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -90.49 144.46 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.866 1.666 . . . . 0.0 110.608 173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.39 140.9 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.651 1.58 . . . . 0.0 111.621 168.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -152.0 162.62 40.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.375 1.87 . . . . 0.0 111.267 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 m -137.84 130.66 29.93 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.109 0.963 . . . . 0.0 110.518 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.25 162.69 24.5 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.895 1.678 . . . . 0.0 112.688 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.89 -25.82 67.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.577 0.751 . . . . 0.0 112.716 170.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -77.51 -2.34 35.03 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.867 1.667 . . . . 0.0 114.126 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.54 7.62 81.8 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.331 1.443 . . . . 0.0 114.411 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.83 107.71 2.42 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-N 118.512 1.156 . . . . 0.0 111.913 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -78.45 138.23 38.36 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.487 1.115 . . . . 0.0 111.626 174.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -139.32 143.83 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 126.125 1.77 . . . . 0.0 110.358 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 mp0 -134.37 151.07 51.0 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.274 1.43 . . . . 0.0 112.339 172.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.0 mt -130.92 121.44 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.89 1.676 . . . . 0.0 108.201 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.63 171.09 32.95 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.314 0.959 . . . . 0.0 114.019 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 56.42 35.48 25.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.804 1.642 . . . . 0.0 114.236 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.42 130.88 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.459 1.504 . . . . 0.0 111.56 -174.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -88.83 -39.74 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.978 1.311 . . . . 0.0 112.201 169.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -157.44 161.32 38.93 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.8 t -133.72 139.13 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 127.302 2.241 . . . . 0.0 109.091 175.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -127.5 147.4 50.32 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.759 1.624 . . . . 0.0 111.212 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.45 117.24 28.93 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.135 1.374 . . . . 0.0 110.641 169.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -89.25 -175.0 4.62 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.153 1.781 . . . . 0.0 110.944 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.49 -9.58 44.56 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.406 1.323 . . . . 0.0 116.406 -178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.83 12.44 0.18 Allowed Glycine 0 CA--C 1.539 1.541 0 N-CA-C 116.378 1.311 . . . . 0.0 116.378 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.63 161.97 37.23 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.302 1.441 . . . . 0.0 111.97 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.17 158.69 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.244 0.618 . . . . 0.0 112.315 163.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -133.8 139.88 46.57 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.463 1.905 . . . . 0.0 110.174 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.5 t -125.98 134.6 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 126.909 2.083 . . . . 0.0 110.149 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.2 m -128.28 130.78 48.38 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.832 1.253 . . . . 0.0 112.418 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 p -98.03 166.4 11.45 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -56.61 -28.86 61.36 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 127.0 2.12 . . . . 0.0 113.283 173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -100.82 18.26 19.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.466 1.506 . . . . 0.0 113.085 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t0 60.44 30.37 19.73 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.581 1.952 . . . . 0.0 114.506 175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -77.66 147.37 35.56 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.16 -0.963 . . . . 0.0 109.882 160.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -130.87 138.43 49.82 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.401 1.08 . . . . 0.0 111.035 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -130.47 145.61 51.87 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.829 1.652 . . . . 0.0 109.497 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.67 142.82 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.821 0.849 . . . . 0.0 112.225 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -140.91 110.41 6.6 Favored Pre-proline 0 N--CA 1.471 0.62 0 C-N-CA 124.149 0.98 . . . . 0.0 110.884 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.05 146.76 53.03 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.82 2.346 . . . . 0.0 111.75 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.39 14.41 82.2 Favored Glycine 0 CA--C 1.534 1.242 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.5 mt -109.77 164.04 12.94 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.775 1.23 . . . . 0.0 112.297 171.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 162.75 34.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.343 2.257 . . . . 0.0 110.248 166.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.3 mt -75.18 124.56 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.541 -0.725 . . . . 0.0 109.612 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.47 -48.41 1.84 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.377 0.989 . . . . 0.0 114.186 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -150.95 150.55 30.95 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.177 0.991 . . . . 0.0 112.512 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.07 135.27 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.107 1.363 . . . . 0.0 111.143 162.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -113.42 109.91 19.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.369 1.468 . . . . 0.0 108.876 167.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.36 -40.88 73.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.308 1.043 . . . . 0.0 111.318 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -65.03 -37.86 89.0 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.381 1.072 . . . . 0.0 112.479 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -85.34 -22.15 28.61 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.643 1.177 . . . . 0.0 113.613 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.75 41.87 55.26 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.306 0.955 . . . . 0.0 113.352 -177.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -131.21 136.76 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 125.011 1.324 . . . . 0.0 111.754 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.7 mt -121.83 138.76 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 126.67 1.988 . . . . 0.0 109.33 173.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -124.64 137.32 54.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.414 1.086 . . . . 0.0 111.914 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.99 148.92 30.0 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.593 1.557 . . . . 0.0 111.918 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.73 159.65 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.929 1.692 . . . . 0.0 111.227 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -76.33 119.77 20.66 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.531 -0.731 . . . . 0.0 111.936 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -69.41 135.99 51.02 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.337 1.055 . . . . 0.0 111.028 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -149.71 25.09 0.86 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -170.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -75.82 -36.28 59.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.708 0.803 . . . . 0.0 111.313 168.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 . . . . . 0 C--O 1.255 1.38 0 C-N-CA 125.353 1.461 . . . . 0.0 112.514 175.057 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.486 0 CA-C-O 119.168 -0.795 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -57.31 160.58 13.18 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 124.16 3.24 . . . . 0.0 114.631 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.86 -170.51 26.04 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.761 1.172 . . . . 0.0 114.646 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m -65.97 -12.08 52.33 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.328 1.451 . . . . 0.0 114.86 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ptm -148.97 167.05 26.82 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.256 1.822 . . . . 0.0 111.109 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.94 154.94 47.6 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.475 1.51 . . . . 0.0 110.589 168.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -149.06 160.54 43.23 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.266 1.426 . . . . 0.0 110.55 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.89 -176.6 4.55 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.403 1.081 . . . . 0.0 112.167 -170.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -117.61 144.61 45.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.908 0.883 . . . . 0.0 113.155 165.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -90.21 147.65 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 125.213 1.405 . . . . 0.0 110.506 167.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.85 133.97 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.799 1.239 . . . . 0.0 110.373 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -146.42 156.47 43.32 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.408 1.483 . . . . 0.0 111.404 -176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.9 m -133.44 132.11 40.72 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.706 0.803 . . . . 0.0 110.779 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.2 164.58 22.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.802 1.641 . . . . 0.0 112.039 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -27.74 69.48 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.251 1.021 . . . . 0.0 112.453 171.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -76.72 -4.62 44.24 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.844 1.658 . . . . 0.0 113.894 173.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.19 5.35 80.16 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.135 1.35 . . . . 0.0 114.971 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.53 119.9 5.41 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 118.026 0.913 . . . . 0.0 111.967 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -95.09 141.29 28.9 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.791 1.237 . . . . 0.0 112.491 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.4 t -136.6 144.73 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.517 1.927 . . . . 0.0 109.909 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.25 147.38 50.66 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.028 1.331 . . . . 0.0 111.56 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 58.2 mt -132.82 122.06 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.164 1.385 . . . . 0.0 108.907 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.41 171.31 36.5 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.466 1.031 . . . . 0.0 114.999 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 56.0 33.9 22.69 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.245 1.818 . . . . 0.0 114.734 173.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -73.97 130.89 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 126.269 1.828 . . . . 0.0 111.851 -176.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 43.3 mt -102.5 -22.98 13.95 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.976 1.31 . . . . 0.0 114.218 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.63 150.52 32.31 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 172.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 32.7 t -134.88 133.03 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.862 1.665 . . . . 0.0 108.95 170.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -141.28 131.77 25.34 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.155 0.982 . . . . 0.0 112.436 -174.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.28 118.51 25.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.399 1.08 . . . . 0.0 110.412 168.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -82.12 -173.85 4.76 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.579 1.552 . . . . 0.0 111.239 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.04 -11.0 43.07 Favored Glycine 0 CA--C 1.54 1.64 0 O-C-N 120.873 -1.142 . . . . 0.0 115.772 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.56 22.95 0.14 Allowed Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.923 1.361 . . . . 0.0 115.368 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.38 162.57 37.64 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.263 1.425 . . . . 0.0 111.818 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.81 136.77 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.744 0.818 . . . . 0.0 110.673 164.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -116.08 147.96 40.75 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.595 1.958 . . . . 0.0 110.971 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 47.1 t -141.52 135.07 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.376 1.871 . . . . 0.0 109.557 -170.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -133.47 133.57 42.43 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.863 0.756 . . . . 0.0 112.374 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 21.9 p -88.24 171.87 9.87 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -53.12 -26.89 18.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.466 2.306 . . . . 0.0 113.598 168.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -101.82 18.29 20.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.334 1.454 . . . . 0.0 112.305 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 59.55 20.16 8.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.577 1.951 . . . . 0.0 114.86 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.64 122.43 24.65 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 171.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -96.79 141.43 30.01 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.101 0.96 . . . . 0.0 112.189 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -132.01 148.08 52.49 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.75 1.62 . . . . 0.0 109.689 171.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -146.15 139.95 26.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.059 0.944 . . . . 0.0 112.323 -176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -139.98 107.95 6.92 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.623 1.169 . . . . 0.0 110.766 -170.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -71.61 149.03 54.59 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.677 2.251 . . . . 0.0 111.993 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.53 18.97 78.63 Favored Glycine 0 CA--C 1.533 1.18 0 N-CA-C 115.382 0.913 . . . . 0.0 115.382 172.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -113.01 164.08 13.9 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.548 1.539 . . . . 0.0 111.995 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.4 167.57 21.83 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.025 2.13 . . . . 0.0 110.262 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 58.6 mt -87.07 123.42 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.262 -0.899 . . . . 0.0 110.058 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.46 -38.53 4.21 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 125.809 1.671 . . . . 0.0 114.65 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 27.5 mtm105 -143.69 151.97 40.73 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.959 1.303 . . . . 0.0 111.926 169.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -125.45 124.91 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.924 1.689 . . . . 0.0 107.983 164.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -131.6 97.15 4.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.71 1.204 . . . . 0.0 110.455 -170.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.5 ' H ' HD22 ' B' ' 53' ' ' LEU . 1.2 mm? -73.16 -27.24 61.55 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.423 1.089 . . . . 0.0 111.651 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -69.12 -50.58 46.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.363 1.465 . . . . 0.0 110.898 178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.5 m -84.49 -19.83 32.66 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 113.284 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.07 45.6 19.53 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.749 1.166 . . . . 0.0 112.954 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.9 143.54 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.113 1.365 . . . . 0.0 111.6 -171.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -124.88 120.23 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.409 1.484 . . . . 0.0 108.868 167.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.5 t -98.82 123.07 42.83 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.048 0.939 . . . . 0.0 110.73 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mp -100.02 144.55 28.93 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.011 1.324 . . . . 0.0 109.971 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.66 157.76 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.996 1.719 . . . . 0.0 110.933 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.9 126.14 30.44 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.009 -1.057 . . . . 0.0 112.254 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.449 ' HG2' ' H ' ' B' ' 65' ' ' ASN . 53.5 tt0 -89.34 139.1 30.85 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.607 1.563 . . . . 0.0 112.346 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -91.97 -2.22 56.86 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . 0.449 ' H ' ' HG2' ' B' ' 63' ' ' GLU . 90.2 m-20 -79.79 -14.51 58.65 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.922 1.689 . . . . 0.0 113.648 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 125.584 1.553 . . . . 0.0 114.387 -176.51 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 119.631 -0.538 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.22 164.82 33.61 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.719 2.946 . . . . 0.0 112.895 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -77.41 -148.61 3.21 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.704 1.145 . . . . 0.0 112.893 167.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.3 m -61.41 137.91 58.25 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.653 -0.91 . . . . 0.0 111.973 173.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mmm -123.41 154.08 39.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.347 1.459 . . . . 0.0 112.58 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.9 t -144.34 150.02 37.13 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.865 1.666 . . . . 0.0 110.342 173.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.82 162.43 38.63 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 126.081 1.752 . . . . 0.0 110.437 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.28 179.12 6.3 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.196 1.398 . . . . 0.0 111.955 176.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -108.56 140.38 41.99 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.278 0.631 . . . . 0.0 111.252 159.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t -85.72 139.09 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 123.786 0.834 . . . . 0.0 109.041 165.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -139.87 137.74 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.077 1.351 . . . . 0.0 110.061 172.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -154.42 161.97 41.42 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.612 1.165 . . . . 0.0 111.977 -173.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.1 m -127.1 127.22 44.3 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.976 0.911 . . . . 0.0 109.897 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -69.1 163.17 25.39 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.7 1.6 . . . . 0.0 112.115 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.25 67.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.278 1.031 . . . . 0.0 112.684 172.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -73.61 -7.19 50.94 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 126.192 1.797 . . . . 0.0 114.011 173.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.23 4.46 88.13 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.641 1.591 . . . . 0.0 114.605 -172.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.96 125.04 7.24 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.379 0.99 . . . . 0.0 112.606 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -79.29 137.25 37.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.392 1.077 . . . . 0.0 110.914 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -135.98 137.62 48.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 125.681 1.592 . . . . 0.0 110.338 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -141.6 138.59 32.71 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.182 1.393 . . . . 0.0 111.326 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.01 123.07 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.756 1.622 . . . . 0.0 109.111 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.71 169.09 35.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.235 0.921 . . . . 0.0 114.937 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 55.78 33.3 21.19 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.17 1.788 . . . . 0.0 114.39 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.12 125.65 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.541 1.536 . . . . 0.0 111.052 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -95.75 -33.72 12.18 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.887 0.875 . . . . 0.0 112.405 167.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -133.63 139.07 46.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.728 0.811 . . . . 0.0 113.06 -170.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 65.0 t -138.34 136.42 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.159 1.384 . . . . 0.0 108.727 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -141.67 141.4 33.35 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.061 1.345 . . . . 0.0 110.44 -170.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.55 134.47 54.83 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.387 1.075 . . . . 0.0 110.471 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -128.02 -165.84 1.54 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.983 2.113 . . . . 0.0 110.94 -170.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.79 73.31 0.36 Allowed Glycine 0 CA--C 1.538 1.529 0 C-N-CA 125.176 1.369 . . . . 0.0 114.262 177.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.74 12.24 55.83 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 126.165 1.84 . . . . 0.0 115.622 175.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.95 161.13 43.13 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.872 1.269 . . . . 0.0 112.418 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.1 m -111.52 156.54 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.343 1.057 . . . . 0.0 112.172 169.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -134.47 139.16 45.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.613 1.965 . . . . 0.0 110.685 175.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -131.76 133.14 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 126.056 1.742 . . . . 0.0 110.244 -175.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -129.06 137.39 51.25 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.598 1.09 . . . . 0.0 112.702 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -96.7 167.8 10.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.948 1.299 . . . . 0.0 114.322 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -55.59 -25.94 41.1 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.197 2.199 . . . . 0.0 113.706 170.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.05 19.65 20.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.45 1.5 . . . . 0.0 113.547 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t0 60.0 27.9 17.36 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.721 2.008 . . . . 0.0 114.998 176.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -76.55 146.92 38.05 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.964 -1.085 . . . . 0.0 110.219 160.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -130.11 138.41 50.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.206 1.003 . . . . 0.0 111.538 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -129.53 144.21 51.17 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.721 1.608 . . . . 0.0 109.288 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 144.04 32.32 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.342 0.657 . . . . 0.0 111.858 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -143.29 115.01 5.8 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 124.141 0.976 . . . . 0.0 111.101 -172.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.05 147.49 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.681 2.254 . . . . 0.0 112.032 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.14 13.36 82.8 Favored Glycine 0 CA--C 1.536 1.353 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 173.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 mt -102.72 166.8 10.29 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.427 1.114 . . . . 0.0 112.198 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.21 158.41 43.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.716 2.006 . . . . 0.0 110.975 170.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.34 124.32 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.44 -50.96 1.63 Allowed Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.096 1.332 . . . . 0.0 113.93 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -146.53 150.08 34.86 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.564 1.546 . . . . 0.0 111.75 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.0 t -132.13 106.73 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.217 1.807 . . . . 0.0 107.85 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -108.52 102.8 11.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.957 1.303 . . . . 0.0 110.567 -177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.19 -47.82 63.85 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.736 -0.603 . . . . 0.0 111.741 -172.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.13 -40.47 90.66 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.926 0.89 . . . . 0.0 112.038 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t -71.82 -30.75 65.83 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.251 1.021 . . . . 0.0 112.81 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 40.21 37.27 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.504 1.05 . . . . 0.0 112.604 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.0 t -135.66 136.22 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 124.858 1.263 . . . . 0.0 111.828 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 94.9 mt -123.78 120.53 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 125.682 1.593 . . . . 0.0 109.193 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.1 t -97.43 124.86 41.76 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.96 1.304 . . . . 0.0 110.715 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.54 144.46 41.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.647 1.179 . . . . 0.0 110.847 173.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pp -138.48 160.7 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.102 1.361 . . . . 0.0 111.696 -168.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -67.88 124.26 22.85 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.573 1.149 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.35 105.31 0.19 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -161.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -133.66 39.25 3.2 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.553 2.341 . . . . 0.0 109.827 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -73.23 -3.41 26.65 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 127.022 2.129 . . . . 0.0 114.256 -175.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptm85 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.953 1.701 . . . . 0.0 114.104 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 CA-C-O 119.219 -0.767 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -52.86 145.28 40.97 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 124.089 3.193 . . . . 0.0 114.251 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 80.21 -43.36 2.68 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.763 1.649 . . . . 0.0 113.895 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 39.9 t -71.28 -35.6 71.4 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.147 0.979 . . . . 0.0 111.616 168.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -146.26 173.33 12.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.287 1.835 . . . . 0.0 110.892 169.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 18.0 t -153.43 154.89 35.31 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.107 1.363 . . . . 0.0 111.121 175.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.0 ptm -150.87 159.51 44.5 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.115 2.166 . . . . 0.0 110.003 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 -177.46 5.07 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.367 1.067 . . . . 0.0 112.591 -174.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -123.9 141.44 52.03 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.373 1.069 . . . . 0.0 111.394 165.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 t -88.9 143.75 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.857 0.863 . . . . 0.0 110.179 170.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.81 140.66 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.657 1.583 . . . . 0.0 111.118 171.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -151.96 167.21 29.12 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.371 1.868 . . . . 0.0 111.086 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.2 m -130.79 130.75 44.09 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.942 0.897 . . . . 0.0 110.943 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -71.7 164.73 25.41 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.59 1.556 . . . . 0.0 113.134 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.35 -27.55 68.66 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.738 1.215 . . . . 0.0 113.208 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 45.7 p30 -77.37 -2.15 33.61 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.866 1.266 . . . . 0.0 113.564 172.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.25 1.46 75.39 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 126.251 1.881 . . . . 0.0 114.911 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.71 129.33 9.19 Favored Glycine 0 CA--C 1.534 1.243 0 CA-C-N 119.253 1.527 . . . . 0.0 112.97 -177.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -74.81 139.31 43.18 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.727 1.211 . . . . 0.0 111.176 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.37 142.13 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.316 1.447 . . . . 0.0 110.152 -174.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -140.13 152.76 46.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.634 1.174 . . . . 0.0 112.579 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.4 mt -127.27 122.91 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.774 1.63 . . . . 0.0 108.512 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.48 165.56 32.53 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.607 1.099 . . . . 0.0 114.354 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 54.06 39.13 30.3 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.312 1.845 . . . . 0.0 113.675 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 94.5 t -70.86 129.05 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.694 1.198 . . . . 0.0 110.717 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.6 tp -99.05 -34.36 10.43 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.59 1.556 . . . . 0.0 111.943 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -159.22 154.23 25.02 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.773 1.229 . . . . 0.0 113.694 174.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -132.86 143.07 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.676 1.99 . . . . 0.0 109.999 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -136.97 132.05 33.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.832 1.253 . . . . 0.0 111.528 -171.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.79 124.64 39.9 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.065 0.946 . . . . 0.0 110.472 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -107.09 -176.18 3.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.72 1.608 . . . . 0.0 110.757 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.84 81.74 0.12 Allowed Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.077 -1.015 . . . . 0.0 113.299 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 23.41 40.48 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.054 1.311 . . . . 0.0 114.995 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.71 165.9 35.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.798 1.239 . . . . 0.0 112.696 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.77 145.98 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.088 1.355 . . . . 0.0 111.43 168.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -119.73 148.31 43.56 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.988 1.715 . . . . 0.0 110.698 168.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.0 t -134.51 129.05 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.968 1.707 . . . . 0.0 109.426 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 70.9 m -124.91 132.25 53.32 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.727 0.811 . . . . 0.0 111.313 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 32.7 p -90.81 164.14 14.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.072 1.349 . . . . 0.0 113.281 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.87 -18.66 57.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.749 2.019 . . . . 0.0 113.449 172.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -107.2 22.25 16.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.768 1.627 . . . . 0.0 113.092 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.75 13.98 6.9 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.507 2.323 . . . . 0.0 116.334 174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.63 144.4 41.75 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.947 -1.095 . . . . 0.0 110.865 163.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -129.99 144.19 51.2 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.141 1.377 . . . . 0.0 111.532 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -129.69 149.2 51.55 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 126.511 1.924 . . . . 0.0 110.278 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.06 142.79 34.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.973 0.909 . . . . 0.0 112.551 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -140.0 95.09 8.66 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 125.53 1.532 . . . . 0.0 111.743 -169.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -67.08 138.67 48.29 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.623 2.215 . . . . 0.0 111.431 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.45 2.91 88.86 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.664 1.126 . . . . 0.0 115.292 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 mt -99.01 162.37 13.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.841 1.32 . . . . 0.0 112.172 166.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.75 156.57 47.26 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.752 2.421 . . . . 0.0 109.605 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.1 mt -71.63 121.26 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 120.794 -1.191 . . . . 0.0 108.789 173.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.72 -60.57 1.27 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.378 0.99 . . . . 0.0 112.835 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -145.03 155.59 43.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.583 1.153 . . . . 0.0 112.807 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.95 134.35 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 127.463 2.305 . . . . 0.0 108.677 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -140.03 100.93 4.04 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.114 1.365 . . . . 0.0 109.471 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 65.7 mt -80.47 -18.14 49.54 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.694 1.198 . . . . 0.0 112.93 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -68.95 -44.7 72.47 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.287 1.435 . . . . 0.0 109.849 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 t -76.38 -32.52 58.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.594 1.158 . . . . 0.0 113.224 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.57 34.43 22.53 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.413 1.483 . . . . 0.0 113.237 -174.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.84 141.15 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.976 1.31 . . . . 0.0 112.171 -169.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -122.19 126.55 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.89 1.676 . . . . 0.0 108.772 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 42.2 t -110.26 126.21 53.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.582 1.153 . . . . 0.0 111.247 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 36.9 mt -96.57 151.68 19.36 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.326 1.05 . . . . 0.0 112.128 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.29 162.06 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.853 1.661 . . . . 0.0 111.315 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -71.45 122.16 19.9 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.683 0.793 . . . . 0.0 111.872 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -58.34 134.23 56.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.987 1.315 . . . . 0.0 111.098 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -152.27 20.92 0.65 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.528 1.131 . . . . 0.0 112.938 -171.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -85.97 -23.33 26.93 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.587 1.155 . . . . 0.0 112.491 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 . . . . . 0 C--O 1.256 1.403 0 CA-C-O 117.233 -1.365 . . . . 0.0 113.685 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.423 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.03 154.01 54.02 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 124.079 3.186 . . . . 0.0 114.553 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 173.14 -172.51 45.19 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.758 1.171 . . . . 0.0 113.156 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 23.0 t -66.69 143.9 56.69 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.779 0.832 . . . . 0.0 111.972 174.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm -124.01 136.37 54.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.107 1.363 . . . . 0.0 111.201 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.1 m -140.16 34.9 1.91 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.46 1.104 . . . . 0.0 113.059 -173.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 133.68 55.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.017 0.927 . . . . 0.0 111.871 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.44 -174.75 2.9 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.714 1.605 . . . . 0.0 112.201 -173.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.64 139.2 52.58 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.054 0.942 . . . . 0.0 111.307 159.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 t -91.14 145.07 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.645 1.178 . . . . 0.0 110.198 173.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.26 136.96 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.513 1.525 . . . . 0.0 111.679 172.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -151.93 168.44 25.16 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.34 1.856 . . . . 0.0 111.702 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m -130.92 130.6 43.7 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.808 0.843 . . . . 0.0 110.705 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -69.14 162.63 26.6 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.924 1.69 . . . . 0.0 112.616 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.56 -27.1 67.41 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.551 1.14 . . . . 0.0 113.157 169.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -70.89 -6.75 40.7 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 126.305 1.842 . . . . 0.0 113.657 172.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.95 4.51 90.26 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.572 1.558 . . . . 0.0 114.636 -171.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.84 122.12 6.16 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.39 0.995 . . . . 0.0 112.82 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.4 tpp85 -71.25 132.9 45.63 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.78 1.232 . . . . 0.0 110.912 172.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.53 139.0 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.82 1.648 . . . . 0.0 110.431 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -135.0 147.21 49.64 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.675 1.19 . . . . 0.0 111.58 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -128.67 118.16 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.404 1.482 . . . . 0.0 108.472 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.01 166.7 37.27 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 124.381 0.991 . . . . 0.0 114.424 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 54.19 36.75 25.72 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.578 1.551 . . . . 0.0 114.356 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -76.29 119.09 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.011 1.324 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tt -88.91 -33.95 17.1 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.586 1.154 . . . . 0.0 112.227 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -153.36 155.44 36.44 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.857 0.863 . . . . 0.0 112.698 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.1 t -136.62 142.26 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.826 1.651 . . . . 0.0 110.334 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 mtm105 -137.06 154.63 50.29 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.283 1.833 . . . . 0.0 111.442 -176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -127.23 135.87 51.23 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.584 1.554 . . . . 0.0 111.213 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -107.98 7.06 27.71 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.801 1.641 . . . . 0.0 113.988 -168.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.86 34.95 88.76 Favored Glycine 0 CA--C 1.545 1.923 0 C-N-CA 123.927 0.775 . . . . 0.0 113.224 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.87 -19.09 0.05 OUTLIER Glycine 0 CA--C 1.539 1.561 0 C-N-CA 126.192 1.853 . . . . 0.0 113.869 -175.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -152.94 162.84 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.635 1.974 . . . . 0.0 110.273 174.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 m -107.0 160.2 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-O 121.245 0.545 . . . . 0.0 111.803 160.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -134.05 135.36 43.26 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.113 2.165 . . . . 0.0 109.397 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.9 t -129.73 118.33 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 126.319 1.848 . . . . 0.0 109.392 -171.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.7 m -117.93 131.68 56.49 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.56 0.744 . . . . 0.0 112.002 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.4 p -83.1 166.79 18.41 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.468 1.107 . . . . 0.0 113.783 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.0 tp -54.21 -21.0 7.84 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.503 2.321 . . . . 0.0 113.375 166.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -107.49 18.09 21.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.283 1.833 . . . . 0.0 113.324 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.31 15.39 8.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 127.344 2.258 . . . . 0.0 115.897 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -76.75 142.38 40.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.929 -1.107 . . . . 0.0 110.352 166.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -125.37 129.47 49.99 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.374 0.67 . . . . 0.0 112.067 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -103.86 153.88 20.26 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.375 1.87 . . . . 0.0 110.005 171.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.97 35.83 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.881 0.872 . . . . 0.0 112.096 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.28 101.16 7.58 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.31 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.11 146.25 97.86 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.857 3.038 . . . . 0.0 113.753 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.05 3.9 70.54 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.032 1.301 . . . . 0.0 116.195 173.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.71 166.07 11.66 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.906 1.283 . . . . 0.0 112.083 170.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.01 161.44 37.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.847 2.459 . . . . 0.0 110.309 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -74.37 119.77 22.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 121.367 -0.833 . . . . 0.0 109.306 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.56 -40.76 4.64 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.99 1.281 . . . . 0.0 114.051 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -148.63 156.04 41.88 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.437 1.095 . . . . 0.0 112.383 172.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -130.68 109.56 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 C-N-CA 126.08 1.752 . . . . 0.0 108.096 165.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -107.17 87.09 2.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.646 1.179 . . . . 0.0 109.931 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 53' ' ' LEU . 2.4 mm? -61.33 -38.48 87.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.935 0.894 . . . . 0.0 112.191 -176.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.53 -34.58 78.56 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.934 1.694 . . . . 0.0 113.182 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 t -91.12 -29.4 17.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.722 1.209 . . . . 0.0 113.806 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.15 35.0 28.26 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 124.704 1.145 . . . . 0.0 112.947 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.11 140.61 47.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.845 1.258 . . . . 0.0 111.796 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -122.76 126.47 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.549 1.54 . . . . 0.0 109.227 173.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -101.39 137.99 39.0 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.589 1.155 . . . . 0.0 111.167 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.9 mt -112.74 143.81 43.33 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.934 1.294 . . . . 0.0 111.327 174.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 pp -135.09 162.22 38.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.407 1.883 . . . . 0.0 110.987 -175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -74.46 122.45 23.04 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.525 -0.734 . . . . 0.0 112.028 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' ' 65' ' ' ASN . 47.9 tt0 -62.39 132.61 53.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.706 1.203 . . . . 0.0 112.582 -174.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -84.11 1.12 45.66 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.274 1.03 . . . . 0.0 113.572 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.403 ' H ' ' HG2' ' A' ' 63' ' ' GLU . 8.7 t-20 -75.94 -20.27 58.09 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.87 1.268 . . . . 0.0 113.271 174.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.818 2.047 . . . . 0.0 112.553 178.632 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 CA-C-O 119.935 -0.37 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.31 159.26 53.11 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.198 3.265 . . . . 0.0 112.977 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -72.01 157.74 53.11 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.342 0.973 . . . . 0.0 114.378 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 18.6 m -75.98 -5.95 48.69 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.27 1.428 . . . . 0.0 114.836 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm -147.76 171.64 15.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.22 1.808 . . . . 0.0 111.149 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 8.7 t -138.67 156.95 46.98 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.012 0.925 . . . . 0.0 112.856 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 12.7 ptm -157.12 164.69 37.59 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.274 2.229 . . . . 0.0 110.306 -168.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.37 -178.82 5.46 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.281 -174.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -123.06 149.06 44.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.799 1.64 . . . . 0.0 111.5 165.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.32 143.62 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.062 1.345 . . . . 0.0 110.325 173.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -134.45 140.98 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.571 1.549 . . . . 0.0 111.411 172.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -149.06 161.39 42.04 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.199 1.8 . . . . 0.0 110.798 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 25.5 m -133.54 131.0 39.24 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.668 0.787 . . . . 0.0 111.188 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -69.59 163.8 24.69 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.773 1.629 . . . . 0.0 112.42 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.85 69.02 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 123.927 0.891 . . . . 0.0 112.905 169.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -73.68 -5.44 40.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.898 1.679 . . . . 0.0 114.135 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.31 8.66 83.18 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.367 1.461 . . . . 0.0 114.716 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.82 118.48 4.63 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 118.372 1.086 . . . . 0.0 111.739 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -79.38 141.37 36.95 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 117.895 0.847 . . . . 0.0 110.723 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.54 138.24 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.548 1.939 . . . . 0.0 109.829 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -135.66 145.18 46.51 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.847 1.259 . . . . 0.0 111.817 -175.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 51.1 mt -129.98 121.38 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.427 1.491 . . . . 0.0 108.82 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.8 168.89 33.32 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.431 1.015 . . . . 0.0 113.631 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 56.16 36.33 27.24 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.02 1.728 . . . . 0.0 114.518 173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -75.36 129.25 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.63 1.572 . . . . 0.0 110.978 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.17 -23.0 13.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.453 1.101 . . . . 0.0 113.654 174.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -158.3 153.84 26.15 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 172.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 56.7 t -134.94 140.69 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.256 2.222 . . . . 0.0 109.16 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -136.73 147.58 46.8 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.716 1.206 . . . . 0.0 111.709 -177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.15 124.68 50.62 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.615 1.166 . . . . 0.0 111.17 171.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -88.47 172.83 9.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.732 1.613 . . . . 0.0 111.145 167.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.43 48.63 1.22 Allowed Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.183 1.373 . . . . 0.0 114.131 173.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.99 3.43 0.21 Allowed Glycine 0 CA--C 1.539 1.553 0 C-N-CA 125.339 1.447 . . . . 0.0 116.182 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.31 162.9 37.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.677 1.739 . . . . 0.0 112.692 -174.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.2 t -112.3 143.59 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.616 1.166 . . . . 0.0 111.572 167.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -122.37 145.9 47.83 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.634 2.373 . . . . 0.0 110.777 177.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.24 137.01 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.986 1.714 . . . . 0.0 110.478 -175.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 62.0 m -131.52 128.18 38.8 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.205 1.002 . . . . 0.0 112.007 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 19.6 p -90.18 169.99 10.68 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -52.98 -29.16 27.4 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.945 2.098 . . . . 0.0 113.781 168.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -99.11 18.58 17.04 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.256 1.423 . . . . 0.0 112.969 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . 0.29 3.0 p30 56.24 20.07 4.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 129.208 3.003 . . . . 0.0 115.227 179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.77 134.84 46.45 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.251 -0.906 . . . . 0.0 109.968 168.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -109.94 135.88 50.1 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.397 1.079 . . . . 0.0 111.795 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -123.16 146.82 47.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.65 1.58 . . . . 0.0 109.196 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -144.94 142.95 30.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.495 0.718 . . . . 0.0 112.49 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -139.63 107.19 7.06 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 124.988 1.315 . . . . 0.0 111.049 -169.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.79 144.87 49.69 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.961 2.441 . . . . 0.0 111.686 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.54 16.62 80.52 Favored Glycine 0 N--CA 1.472 1.069 0 C-N-CA 124.266 0.936 . . . . 0.0 114.976 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 40.2 mt -106.68 162.17 14.0 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.98 1.39 . . . . 0.0 112.295 170.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.46 155.84 48.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.553 1.941 . . . . 0.0 110.666 168.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 51.5 mt -74.69 119.83 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 109.07 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.96 -42.13 2.7 Favored Glycine 0 N--CA 1.474 1.222 0 C-N-CA 124.456 1.026 . . . . 0.0 114.384 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -149.91 145.32 26.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.83 1.252 . . . . 0.0 111.743 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -139.79 105.33 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.557 1.943 . . . . 0.0 108.606 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -110.37 112.91 25.16 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.082 0.953 . . . . 0.0 109.966 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 54.9 mt -86.47 -26.62 24.55 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -172.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -66.88 -42.46 85.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.539 1.135 . . . . 0.0 111.972 176.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 84.8 p -86.89 -21.44 26.33 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.409 1.084 . . . . 0.0 113.601 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.76 46.11 25.23 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.732 1.158 . . . . 0.0 112.864 -178.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -129.28 133.29 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.213 1.005 . . . . 0.0 111.471 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 96.3 mt -120.78 129.2 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.935 1.694 . . . . 0.0 108.576 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.0 t -116.37 128.43 55.51 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.222 1.409 . . . . 0.0 110.776 -177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -98.72 151.11 21.1 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.53 1.132 . . . . 0.0 111.754 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.3 pp -128.97 160.82 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 126.03 1.732 . . . . 0.0 111.019 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -78.66 115.23 18.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.041 0.936 . . . . 0.0 112.037 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 58.4 tt0 -77.12 128.73 34.94 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.26 1.424 . . . . 0.0 111.368 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -89.64 2.09 55.18 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -77.52 -4.81 47.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.44 1.896 . . . . 0.0 113.735 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 C--O 1.255 1.387 0 C-N-CA 127.581 2.353 . . . . 0.0 114.968 178.867 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 CA-C-O 119.61 -0.55 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.57 148.0 77.61 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.849 3.033 . . . . 0.0 112.978 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -80.26 151.88 33.63 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.654 1.121 . . . . 0.0 114.136 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 86.1 p -83.32 173.25 11.74 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.35 1.46 . . . . 0.0 112.135 170.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 ptm -141.78 152.6 43.9 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.159 1.383 . . . . 0.0 111.642 170.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.6 t -88.27 142.76 27.48 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.066 0.946 . . . . 0.0 112.956 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -150.4 156.36 41.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.436 2.294 . . . . 0.0 109.481 170.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.74 -178.51 4.06 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.351 1.06 . . . . 0.0 112.729 -170.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -121.96 134.42 54.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.064 1.345 . . . . 0.0 111.536 165.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.6 t -92.44 143.19 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.55 1.14 . . . . 0.0 109.878 173.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 p -140.93 143.23 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.327 1.051 . . . . 0.0 112.417 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -150.38 157.09 42.66 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.795 2.038 . . . . 0.0 110.872 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 m -136.7 132.7 35.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.729 0.812 . . . . 0.0 111.435 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -71.94 162.35 29.58 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.1 1.76 . . . . 0.0 112.673 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.56 -26.26 68.33 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.948 0.899 . . . . 0.0 112.734 170.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -75.34 -4.56 39.97 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.06 1.744 . . . . 0.0 113.788 172.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.56 5.72 84.23 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.603 1.573 . . . . 0.0 114.68 -178.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.22 123.77 6.45 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 118.169 0.985 . . . . 0.0 111.26 177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -95.79 141.15 29.6 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.908 0.883 . . . . 0.0 112.05 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.2 t -131.12 136.06 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 126.02 1.728 . . . . 0.0 109.116 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -142.22 153.25 43.84 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 112.537 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.3 mt -131.11 123.27 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.714 1.605 . . . . 0.0 108.241 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.02 168.4 32.59 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.57 1.081 . . . . 0.0 113.547 175.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 55.32 36.77 27.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.672 1.589 . . . . 0.0 113.92 175.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.2 125.93 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 126.143 1.777 . . . . 0.0 111.783 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tt -96.12 -36.02 11.13 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 125.168 1.387 . . . . 0.0 111.907 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -151.59 156.08 39.74 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.146 0.979 . . . . 0.0 113.454 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -139.62 140.86 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.611 1.964 . . . . 0.0 109.912 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.8 mtp85 -130.52 137.66 49.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.916 1.687 . . . . 0.0 112.111 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.39 120.59 33.86 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.115 0.966 . . . . 0.0 109.82 161.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -94.59 -179.65 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.125 1.77 . . . . 0.0 110.955 172.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.8 86.63 0.12 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 120.996 -1.065 . . . . 0.0 111.813 168.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 21.7 43.92 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.872 1.701 . . . . 0.0 115.594 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.86 165.14 37.38 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.228 1.514 . . . . 0.0 112.776 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.0 t -114.84 144.28 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.724 1.21 . . . . 0.0 111.11 166.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -123.89 145.92 48.79 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.066 1.746 . . . . 0.0 110.937 171.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.9 t -135.59 136.14 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 126.376 1.87 . . . . 0.0 109.536 -173.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.8 m -130.82 126.72 37.02 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.888 0.875 . . . . 0.0 111.438 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -78.21 166.33 22.86 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.079 0.952 . . . . 0.0 113.014 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.81 -31.01 66.19 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.685 1.194 . . . . 0.0 111.844 172.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -86.66 13.65 8.29 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.154 1.782 . . . . 0.0 113.871 176.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 63.01 20.37 12.25 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.873 2.069 . . . . 0.0 115.482 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.23 127.93 34.3 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.353 -1.467 . . . . 0.0 110.122 169.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -102.61 141.69 35.01 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.613 1.165 . . . . 0.0 112.356 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -135.18 149.7 49.99 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.913 1.685 . . . . 0.0 110.228 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.87 143.23 33.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.532 1.133 . . . . 0.0 112.493 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -141.23 103.82 6.08 Favored Pre-proline 0 CA--C 1.542 0.635 0 C-N-CA 125.118 1.367 . . . . 0.0 111.423 -172.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.37 147.57 59.25 Favored 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 122.5 2.133 . . . . 0.0 112.102 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.63 6.14 89.34 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 125.384 1.469 . . . . 0.0 114.84 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.1 mt -106.6 163.78 12.61 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.714 1.206 . . . . 0.0 112.44 176.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.55 160.55 39.29 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.27 2.228 . . . . 0.0 110.19 167.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.8 mt -70.74 122.05 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.394 -0.817 . . . . 0.0 108.844 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.6 -72.82 1.18 Allowed Glycine 0 CA--C 1.522 0.512 0 C-N-CA 124.444 1.021 . . . . 0.0 113.097 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.2 mtt85 -136.99 143.31 42.72 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.226 1.01 . . . . 0.0 111.833 -174.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.28 111.76 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.819 1.648 . . . . 0.0 109.473 -167.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.8 109.78 21.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.009 1.324 . . . . 0.0 109.557 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.25 -51.48 17.53 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.904 -0.497 . . . . 0.0 111.35 -175.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -23.55 65.62 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -91.97 -17.87 24.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.181 1.392 . . . . 0.0 113.821 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.02 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.381 1.467 . . . . 0.0 113.833 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.41 136.56 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.761 1.28 . . . . 0.0 111.889 -175.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.4 mt -127.03 112.98 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 125.665 1.586 . . . . 0.0 109.327 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.2 m -97.57 124.72 41.93 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.039 1.335 . . . . 0.0 111.101 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.3 mt -88.83 156.33 19.01 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.998 0.919 . . . . 0.0 112.074 174.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.94 162.27 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.016 1.727 . . . . 0.0 111.213 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -71.01 122.32 19.8 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.941 0.896 . . . . 0.0 111.293 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.93 129.08 40.04 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.882 0.873 . . . . 0.0 111.251 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -144.57 29.36 1.26 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.751 1.221 . . . . 0.0 113.591 -165.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -79.72 -7.85 58.87 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.524 1.129 . . . . 0.0 113.444 174.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 127.518 2.327 . . . . 0.0 113.232 -178.821 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 CA-C-O 119.226 -0.763 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.39 166.04 11.98 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.136 3.224 . . . . 0.0 114.476 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -147.72 -179.88 24.08 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.97 1.272 . . . . 0.0 113.805 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 95.4 p -151.84 171.22 18.07 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.832 1.653 . . . . 0.0 112.06 -176.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 29.1 mtm 57.61 -162.77 0.2 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.196 1.798 . . . . 0.0 113.431 -175.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 t -133.63 145.73 50.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.083 1.353 . . . . 0.0 109.759 164.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -147.8 171.4 15.76 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 125.719 1.607 . . . . 0.0 110.459 -176.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.96 173.32 11.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.203 1.001 . . . . 0.0 112.42 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -103.2 143.8 32.15 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.011 0.924 . . . . 0.0 110.534 158.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 37.8 t -98.89 138.78 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.584 1.154 . . . . 0.0 109.682 166.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 p -134.95 142.52 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.747 1.219 . . . . 0.0 111.762 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -147.31 155.64 42.2 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.175 1.79 . . . . 0.0 110.65 176.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 62.5 m -137.86 129.05 27.57 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.107 0.963 . . . . 0.0 111.006 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -67.97 162.28 24.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.243 1.417 . . . . 0.0 112.371 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.64 -27.19 67.6 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.037 0.935 . . . . 0.0 112.966 169.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -75.29 -3.42 33.25 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.234 1.813 . . . . 0.0 113.917 172.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.13 6.06 82.23 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.369 1.462 . . . . 0.0 114.554 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.18 107.12 2.27 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 118.536 1.168 . . . . 0.0 112.193 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -81.74 139.64 34.75 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.575 1.15 . . . . 0.0 111.422 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.6 t -135.21 140.11 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 126.0 1.72 . . . . 0.0 109.754 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -140.41 140.37 35.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.022 1.329 . . . . 0.0 111.489 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.9 mt -126.01 122.07 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 125.419 1.488 . . . . 0.0 108.29 176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.84 168.44 31.58 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.592 1.092 . . . . 0.0 114.001 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 57.31 35.16 25.73 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.293 1.437 . . . . 0.0 114.571 171.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 83.3 t -74.63 129.18 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.102 1.761 . . . . 0.0 111.172 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -97.14 -26.22 15.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.937 1.295 . . . . 0.0 112.629 174.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -156.14 153.58 29.52 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -137.34 140.17 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 126.487 1.915 . . . . 0.0 109.834 176.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -134.84 127.87 31.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.781 1.233 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.21 131.09 35.49 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.8 0.84 . . . . 0.0 110.119 159.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -111.54 13.31 21.34 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.88 1.272 . . . . 0.0 113.301 -168.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.88 32.35 45.45 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.716 1.151 . . . . 0.0 114.302 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.1 -13.96 0.11 Allowed Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.621 1.581 . . . . 0.0 114.342 -177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.44 168.88 22.85 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.845 2.058 . . . . 0.0 110.037 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.9 m -118.13 159.95 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 162.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -131.96 144.26 50.69 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.058 2.143 . . . . 0.0 110.165 176.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -134.92 131.72 53.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.868 2.067 . . . . 0.0 109.693 -175.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 91.7 m -131.45 130.8 42.94 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 118.727 0.694 . . . . 0.0 112.327 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.6 p -102.22 165.4 11.16 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.348 1.459 . . . . 0.0 113.135 -176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -65.84 -10.97 42.83 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 173.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -81.02 3.58 22.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.88 1.272 . . . . 0.0 113.397 174.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.4 t0 61.71 19.74 10.77 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.678 1.991 . . . . 0.0 113.693 -170.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -89.07 142.34 27.73 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.992 1.317 . . . . 0.0 111.463 170.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -126.3 142.3 51.58 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.464 1.506 . . . . 0.0 111.026 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -129.43 145.89 51.36 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.412 1.885 . . . . 0.0 110.099 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -140.84 143.96 35.06 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.712 0.805 . . . . 0.0 112.776 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -142.26 104.15 5.57 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 124.553 1.141 . . . . 0.0 111.275 -170.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.73 146.99 95.28 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.5 2.8 . . . . 0.0 113.347 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.62 4.33 80.85 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.855 1.102 . . . . 0.0 115.855 173.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.61 166.75 11.52 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.238 1.519 . . . . 0.0 112.836 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.68 160.98 40.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.782 2.033 . . . . 0.0 111.101 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 69.4 mt -77.17 119.39 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.529 -0.732 . . . . 0.0 109.138 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.86 -42.64 3.78 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.338 0.97 . . . . 0.0 114.044 -178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -150.37 147.93 28.19 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.39 1.076 . . . . 0.0 111.916 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.65 132.93 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 126.015 1.726 . . . . 0.0 109.925 174.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.59 109.71 11.6 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.98 1.712 . . . . 0.0 109.988 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.42 -41.18 48.55 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.08 0.952 . . . . 0.0 112.454 -173.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -62.5 -48.86 77.73 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.29 1.036 . . . . 0.0 111.094 176.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -75.06 -23.4 58.07 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.65 1.18 . . . . 0.0 113.274 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.35 46.06 43.91 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.856 1.217 . . . . 0.0 113.01 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -132.62 139.1 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.691 1.196 . . . . 0.0 112.01 -174.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -128.84 123.74 59.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.147 1.779 . . . . 0.0 108.46 173.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -104.89 125.87 51.37 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.062 0.945 . . . . 0.0 110.84 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.38 150.03 20.72 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.9 1.28 . . . . 0.0 111.573 173.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.14 157.72 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.09 1.756 . . . . 0.0 110.644 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -76.42 122.88 25.15 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.872 0.869 . . . . 0.0 109.148 173.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.04 103.27 0.13 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.643 1.177 . . . . 0.0 113.051 -161.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -140.01 37.9 1.95 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.19 2.196 . . . . 0.0 109.193 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -64.31 -9.05 15.2 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.853 1.661 . . . . 0.0 115.407 -164.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.094 1.758 . . . . 0.0 114.012 178.666 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.427 0 CA-C-O 118.581 -1.122 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -64.76 -25.92 60.66 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.547 2.831 . . . . 0.0 115.24 -178.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.91 158.89 53.8 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.232 0.92 . . . . 0.0 114.24 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 82.5 p -73.67 -24.24 59.94 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.278 1.031 . . . . 0.0 113.056 171.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mmm 55.36 52.38 11.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.418 1.887 . . . . 0.0 114.404 174.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m -85.72 173.03 10.39 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.632 166.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 167.79 21.28 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 110.791 165.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.15 175.04 9.9 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.969 1.308 . . . . 0.0 111.461 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.58 141.78 35.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.257 0.623 . . . . 0.0 111.238 158.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.79 142.67 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 123.965 0.906 . . . . 0.0 109.316 162.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.6 p -132.57 138.44 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.281 1.432 . . . . 0.0 110.7 170.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -153.06 165.49 35.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.474 1.51 . . . . 0.0 111.568 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.6 m -135.92 130.68 34.12 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.454 1.102 . . . . 0.0 110.442 175.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.12 163.48 22.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.553 1.541 . . . . 0.0 112.498 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -27.21 69.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.016 0.926 . . . . 0.0 112.755 169.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -74.94 -4.55 38.8 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.04 1.736 . . . . 0.0 113.91 171.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.84 5.79 80.64 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.207 1.384 . . . . 0.0 114.652 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.97 113.61 3.77 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 118.569 1.184 . . . . 0.0 112.206 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -82.18 138.56 34.67 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.06 0.944 . . . . 0.0 111.161 176.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.4 t -137.76 143.21 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.931 1.692 . . . . 0.0 110.093 -171.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -128.76 150.39 50.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.961 1.305 . . . . 0.0 111.81 171.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.5 mt -127.76 122.34 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.864 1.666 . . . . 0.0 108.327 172.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.93 166.21 32.38 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.194 0.902 . . . . 0.0 113.739 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 54.4 36.41 25.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.103 1.361 . . . . 0.0 113.889 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.13 129.4 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.084 1.354 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.0 -39.19 8.26 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.3 1.84 . . . . 0.0 111.075 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -155.25 161.99 41.0 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.65 138.19 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.556 1.943 . . . . 0.0 109.661 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -127.8 127.74 44.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.727 1.611 . . . . 0.0 110.9 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.12 138.3 31.54 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.835 0.854 . . . . 0.0 111.981 172.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -107.6 173.4 6.34 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.269 1.828 . . . . 0.0 110.597 168.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.15 45.64 1.17 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.874 1.226 . . . . 0.0 114.247 175.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.75 11.36 0.44 Allowed Glycine 0 CA--C 1.538 1.474 0 C-N-CA 125.46 1.505 . . . . 0.0 115.881 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.19 168.9 25.85 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.432 1.616 . . . . 0.0 112.221 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.9 t -126.68 143.13 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.629 1.172 . . . . 0.0 111.421 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -120.89 143.69 48.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.705 2.002 . . . . 0.0 110.482 173.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.73 134.32 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.816 1.647 . . . . 0.0 109.728 -171.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.9 m -125.35 131.21 53.04 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.321 1.048 . . . . 0.0 111.109 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 p -90.33 166.68 13.17 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.125 0.97 . . . . 0.0 113.132 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.97 -23.36 53.53 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.644 1.977 . . . . 0.0 112.936 172.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -107.5 23.02 15.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.15 1.78 . . . . 0.0 113.071 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 62.46 20.14 11.68 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.897 2.079 . . . . 0.0 115.665 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -74.39 145.39 43.79 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.712 -1.243 . . . . 0.0 110.321 165.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -123.78 139.98 53.45 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.162 0.985 . . . . 0.0 111.571 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -132.39 147.96 52.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.564 1.545 . . . . 0.0 109.64 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -142.87 143.11 31.95 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.324 0.65 . . . . 0.0 112.386 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -141.68 103.85 5.86 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.871 1.268 . . . . 0.0 111.756 -168.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.5 145.93 54.24 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.002 2.468 . . . . 0.0 112.218 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.2 -3.07 87.48 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.542 1.544 . . . . 0.0 114.416 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.6 mt -94.21 162.91 13.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.798 1.299 . . . . 0.0 113.17 175.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.06 157.11 47.01 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.706 2.403 . . . . 0.0 110.074 165.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.4 mt -69.57 114.89 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.2 -73.64 1.28 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.33 0.967 . . . . 0.0 112.813 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -141.24 148.31 39.68 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.808 1.243 . . . . 0.0 111.518 -171.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -135.78 139.51 46.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.568 1.547 . . . . 0.0 109.979 -169.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -143.38 99.28 3.4 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.417 1.487 . . . . 0.0 110.05 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -73.51 -28.99 62.2 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.146 1.378 . . . . 0.0 112.232 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -66.15 -40.49 90.62 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.015 1.726 . . . . 0.0 111.319 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -83.04 -30.16 28.28 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.073 1.349 . . . . 0.0 113.066 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.13 40.86 8.34 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.219 1.39 . . . . 0.0 113.177 -175.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 73.3 t -131.39 139.59 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.981 1.312 . . . . 0.0 111.974 -169.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.8 mt -125.53 120.0 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 126.485 1.914 . . . . 0.0 108.59 170.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 t -105.19 121.74 44.47 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.036 1.335 . . . . 0.0 110.902 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 mt -95.1 147.67 23.19 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.53 1.132 . . . . 0.0 110.964 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -134.95 157.7 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.233 1.413 . . . . 0.0 111.33 -175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -69.2 121.18 16.27 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.477 0.711 . . . . 0.0 110.78 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -54.77 111.6 0.85 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.416 1.487 . . . . 0.0 113.178 -166.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -140.31 59.55 1.56 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.792 2.037 . . . . 0.0 108.542 175.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -72.65 8.81 1.29 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -170.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.336 1.454 . . . . 0.0 113.561 174.236 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 111.876 -0.489 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.5 155.04 55.2 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.181 3.254 . . . . 0.0 114.029 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . -78.8 -171.23 39.56 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.654 1.121 . . . . 0.0 114.173 175.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 21.3 m -60.66 145.42 49.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.546 1.138 . . . . 0.0 112.446 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 75.5 mtp -67.26 159.93 28.13 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.142 0.977 . . . . 0.0 113.545 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -128.23 167.33 17.02 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.757 1.623 . . . . 0.0 109.847 164.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -139.89 169.53 17.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.323 1.449 . . . . 0.0 110.019 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.66 178.53 7.41 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.848 0.859 . . . . 0.0 112.345 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -123.31 141.69 51.72 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 125.088 1.355 . . . . 0.0 111.564 163.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 55.7 t -89.69 142.71 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 123.816 0.846 . . . . 0.0 109.746 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.7 136.53 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.676 1.19 . . . . 0.0 111.232 173.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.81 165.72 33.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.558 1.543 . . . . 0.0 111.953 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 m -129.14 124.77 35.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.593 0.757 . . . . 0.0 109.959 170.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -66.45 160.13 25.62 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.863 1.665 . . . . 0.0 112.514 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.97 -20.7 66.29 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.337 1.055 . . . . 0.0 112.453 164.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.17 -9.98 27.53 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.495 2.318 . . . . 0.0 112.781 167.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.68 6.92 86.72 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 126.202 1.858 . . . . 0.0 114.052 -178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.19 125.08 8.45 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.713 1.149 . . . . 0.0 112.882 -175.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -77.09 140.97 40.42 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.542 1.137 . . . . 0.0 111.035 173.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -138.38 140.58 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 126.1 1.76 . . . . 0.0 110.857 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -123.17 146.53 47.7 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.962 1.305 . . . . 0.0 111.374 169.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 75.7 mt -129.29 113.41 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.546 1.538 . . . . 0.0 109.037 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -89.78 173.98 40.55 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.421 1.01 . . . . 0.0 114.853 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 56.31 34.45 24.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.417 1.887 . . . . 0.0 114.156 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.27 129.54 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.507 1.123 . . . . 0.0 110.941 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -100.52 -27.3 13.49 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 171.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.11 147.83 26.27 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.194 0.907 . . . . 0.0 113.185 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -140.36 143.63 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.192 1.797 . . . . 0.0 109.604 -176.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -136.11 130.3 33.15 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.594 1.158 . . . . 0.0 111.258 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.83 129.69 34.77 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.431 0.634 . . . . 0.0 109.662 157.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.34 22.12 14.55 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.696 1.998 . . . . 0.0 111.703 -172.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.45 -80.88 1.79 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.066 1.794 . . . . 0.0 111.755 -174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.58 90.51 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.367 0.984 . . . . 0.0 115.16 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.08 171.72 19.3 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.773 1.629 . . . . 0.0 110.856 -174.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 m -119.26 161.86 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.231 0.612 . . . . 0.0 112.545 158.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -131.05 147.52 52.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.213 2.205 . . . . 0.0 111.411 170.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 83.6 t -136.54 129.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.566 1.946 . . . . 0.0 108.907 -173.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 36.7 m -128.35 133.13 48.6 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 119.442 1.019 . . . . 0.0 112.395 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 38.7 p -91.53 167.14 12.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.424 1.489 . . . . 0.0 114.14 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -51.87 -26.95 11.2 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.771 2.428 . . . . 0.0 113.954 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -101.24 15.05 30.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.683 1.593 . . . . 0.0 113.92 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t0 61.78 14.95 6.61 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.997 2.119 . . . . 0.0 115.143 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -78.74 147.56 33.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.663 -1.273 . . . . 0.0 110.381 162.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -131.73 159.19 39.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.836 0.854 . . . . 0.0 113.248 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -132.55 152.57 51.54 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.088 2.155 . . . . 0.0 109.661 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.55 137.41 28.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.178 0.991 . . . . 0.0 112.145 -175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.91 98.69 7.67 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.361 1.065 . . . . 0.0 111.997 -171.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -61.0 144.54 99.59 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.262 2.641 . . . . 0.0 112.428 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.52 82.46 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 115.375 0.91 . . . . 0.0 115.375 173.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 81.1 mt -113.21 161.82 16.72 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.861 1.264 . . . . 0.0 111.715 170.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.93 44.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.862 2.065 . . . . 0.0 110.901 172.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 62.7 mt -75.9 121.34 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 121.318 -0.864 . . . . 0.0 109.685 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.62 -40.91 3.75 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.056 1.312 . . . . 0.0 113.828 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -150.42 145.53 26.12 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.634 1.174 . . . . 0.0 111.972 -177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 64.7 t -128.19 126.53 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.704 1.602 . . . . 0.0 108.305 173.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -131.92 106.88 8.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.201 1.0 . . . . 0.0 110.599 -173.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.12 -21.64 39.7 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.462 1.105 . . . . 0.0 112.355 -177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -64.52 -45.43 87.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 110.766 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 18.2 t -92.56 -26.5 17.87 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.666 1.187 . . . . 0.0 113.287 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.88 44.93 13.12 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.015 0.817 . . . . 0.0 112.223 -172.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.3 t -131.02 140.07 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.627 1.171 . . . . 0.0 112.009 -172.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 94.6 mt -123.89 113.27 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.314 1.446 . . . . 0.0 108.062 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -98.62 129.25 45.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.187 0.995 . . . . 0.0 111.48 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.46 151.59 21.38 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.472 1.109 . . . . 0.0 112.695 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.91 157.75 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.324 1.85 . . . . 0.0 111.296 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -72.08 120.9 18.34 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.303 1.041 . . . . 0.0 112.009 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -64.51 129.47 39.99 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.056 0.942 . . . . 0.0 111.387 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -149.48 24.93 0.88 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.746 1.219 . . . . 0.0 113.163 -168.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -83.15 -4.57 58.52 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 . . . . . 0 C--O 1.251 1.155 0 C-N-CA 127.693 2.397 . . . . 0.0 113.137 -176.769 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 112.271 -0.332 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.74 155.68 69.0 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 124.01 3.14 . . . . 0.0 112.849 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -70.64 150.98 48.9 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 123.926 0.774 . . . . 0.0 113.606 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 69.2 p -74.01 156.82 37.12 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.057 1.343 . . . . 0.0 112.327 174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mtp -72.03 150.51 43.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.631 0.773 . . . . 0.0 112.792 177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.7 m -141.62 150.32 41.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.017 1.727 . . . . 0.0 110.816 176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.19 171.17 20.25 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.701 1.6 . . . . 0.0 111.142 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.75 -170.5 2.57 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.834 1.254 . . . . 0.0 112.391 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -122.86 132.43 54.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 110.939 161.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.74 143.89 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 125.106 1.363 . . . . 0.0 109.851 170.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.5 p -137.09 140.83 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.974 0.909 . . . . 0.0 111.878 169.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pp -153.42 170.74 19.98 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.942 2.097 . . . . 0.0 110.673 -178.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.0 m -133.61 133.57 42.16 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.305 -0.872 . . . . 0.0 111.862 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -70.72 165.27 23.36 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.426 1.89 . . . . 0.0 112.541 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.23 -24.6 67.95 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.702 1.201 . . . . 0.0 113.069 171.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -72.62 -8.36 54.87 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.006 1.722 . . . . 0.0 113.603 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.52 4.87 89.96 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.147 1.356 . . . . 0.0 114.474 -170.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.14 124.19 6.44 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 124.693 1.139 . . . . 0.0 111.919 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -76.99 143.33 39.48 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.163 0.982 . . . . 0.0 111.347 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -128.98 134.75 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 126.471 1.909 . . . . 0.0 109.412 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.71 134.21 30.0 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.863 1.265 . . . . 0.0 110.557 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.14 108.44 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.963 1.305 . . . . 0.0 109.3 -170.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.4 164.95 47.89 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.521 1.058 . . . . 0.0 113.978 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 55.45 35.12 24.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.865 1.666 . . . . 0.0 114.713 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -69.1 125.78 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 O-C-N 121.047 -1.033 . . . . 0.0 110.217 170.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.2 mt -90.11 -35.46 15.42 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.68 0.792 . . . . 0.0 111.608 171.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -155.75 156.36 34.69 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -172.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 t -139.69 150.83 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 126.339 1.855 . . . . 0.0 110.081 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -127.53 144.22 51.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.371 1.868 . . . . 0.0 110.782 170.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.88 129.72 55.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.131 0.972 . . . . 0.0 110.813 166.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -102.74 172.56 6.77 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.351 1.86 . . . . 0.0 110.548 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.87 61.06 0.95 Allowed Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.12 1.343 . . . . 0.0 113.923 174.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.66 5.32 1.73 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.907 1.718 . . . . 0.0 115.895 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.95 167.54 27.75 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.587 1.694 . . . . 0.0 112.856 -174.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.8 m -124.79 154.42 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.044 0.938 . . . . 0.0 112.988 162.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -133.53 122.27 23.35 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.487 1.915 . . . . 0.0 110.098 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -110.73 136.72 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.066 2.146 . . . . 0.0 110.122 -173.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.3 m -127.75 127.84 44.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.62 0.768 . . . . 0.0 112.436 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.3 p -93.03 167.22 11.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.937 1.295 . . . . 0.0 113.722 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -53.27 -30.08 36.54 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.182 1.793 . . . . 0.0 113.255 171.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -85.23 10.08 13.38 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.749 1.62 . . . . 0.0 113.381 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 62.81 15.38 8.15 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.937 2.095 . . . . 0.0 114.902 -176.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -77.33 139.5 39.78 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.322 -0.861 . . . . 0.0 111.275 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -113.93 138.12 50.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.066 1.347 . . . . 0.0 111.319 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -133.42 124.93 27.99 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.204 1.402 . . . . 0.0 109.751 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.91 139.98 50.36 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.848 0.859 . . . . 0.0 112.167 -173.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -138.51 93.6 11.06 Favored Pre-proline 0 CA--C 1.541 0.608 0 C-N-CA 125.11 1.364 . . . . 0.0 111.549 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -61.89 145.58 96.9 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.688 2.925 . . . . 0.0 112.445 171.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.54 0.2 86.75 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.792 1.187 . . . . 0.0 115.087 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.9 mt -105.94 160.33 15.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.895 1.278 . . . . 0.0 111.914 173.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.78 160.43 39.7 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.96 2.504 . . . . 0.0 110.558 172.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.8 mt -74.2 115.49 15.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 123.442 0.697 . . . . 0.0 109.328 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -95.65 -38.47 4.69 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.086 1.327 . . . . 0.0 114.037 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -143.23 145.31 32.65 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.44 1.496 . . . . 0.0 111.731 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -126.69 121.09 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.783 1.233 . . . . 0.0 108.462 160.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -110.44 95.68 5.72 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.762 1.625 . . . . 0.0 109.842 174.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.11 -38.17 87.56 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.844 0.858 . . . . 0.0 111.522 177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -66.01 -40.47 91.11 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.558 1.543 . . . . 0.0 112.988 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.7 m -88.94 -22.33 23.13 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.45 44.6 32.95 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.257 0.932 . . . . 0.0 113.043 -172.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -134.92 142.2 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.732 1.213 . . . . 0.0 112.1 -175.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.25 134.42 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.884 1.674 . . . . 0.0 108.1 170.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 t -121.27 132.24 54.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.021 0.928 . . . . 0.0 111.515 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.53 143.15 33.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.596 1.158 . . . . 0.0 111.72 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.42 157.52 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.129 1.772 . . . . 0.0 111.649 -176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -70.55 117.65 12.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.802 0.841 . . . . 0.0 112.574 -176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.38 135.81 40.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.934 0.894 . . . . 0.0 111.323 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -150.7 11.26 0.66 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -156.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -78.81 2.44 19.88 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 . . . . . 0 C--O 1.255 1.372 0 C-N-CA 125.483 1.513 . . . . 0.0 112.89 175.789 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 CA-C-O 119.573 -0.571 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.17 167.54 12.41 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.663 3.575 . . . . 0.0 114.216 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -1' ' ' GLY . . . . . . . . . . . . . . . 86.16 -145.8 20.77 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.63 1.11 . . . . 0.0 113.671 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' SER . . . . . . . . . . . . . 19.4 m 59.47 20.66 9.07 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.572 1.949 . . . . 0.0 115.175 -174.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.1 mtp -80.52 157.97 25.96 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.427 1.491 . . . . 0.0 111.775 172.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 57.4 m -120.66 28.8 7.76 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.864 1.266 . . . . 0.0 113.679 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.78 149.14 18.79 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.502 1.121 . . . . 0.0 112.788 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.2 -176.65 3.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.531 1.133 . . . . 0.0 112.101 -172.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -113.39 146.05 40.13 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.791 0.836 . . . . 0.0 111.835 159.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.49 141.83 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.347 1.059 . . . . 0.0 109.402 167.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.89 139.9 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.182 1.393 . . . . 0.0 110.659 167.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -144.47 143.01 30.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.861 1.264 . . . . 0.0 111.83 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 92.1 m -97.09 132.8 42.52 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.945 1.298 . . . . 0.0 111.135 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -76.19 163.41 27.09 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.686 1.994 . . . . 0.0 113.109 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.36 67.85 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.628 1.171 . . . . 0.0 113.187 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -87.94 3.2 49.51 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.708 1.203 . . . . 0.0 113.717 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 2.16 87.87 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.587 1.565 . . . . 0.0 115.114 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.43 -178.24 39.27 Favored Glycine 0 CA--C 1.542 1.738 0 CA-C-N 118.503 1.151 . . . . 0.0 112.95 171.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -138.32 150.78 46.95 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.332 -1.099 . . . . 0.0 113.628 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.5 t -130.01 138.04 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.205 1.802 . . . . 0.0 109.566 177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -123.36 146.68 47.76 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.37 1.468 . . . . 0.0 112.139 175.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 54.6 mt -130.15 120.56 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.357 1.463 . . . . 0.0 108.427 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.97 165.64 30.65 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.094 0.854 . . . . 0.0 114.354 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 52.05 42.48 30.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.968 1.707 . . . . 0.0 114.401 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -76.4 123.11 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 126.126 1.771 . . . . 0.0 110.854 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -86.52 -33.32 20.34 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.267 1.427 . . . . 0.0 112.693 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -162.81 149.5 12.82 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.218 1.007 . . . . 0.0 113.207 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 51.8 t -132.2 133.89 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.897 2.079 . . . . 0.0 110.298 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.62 137.94 51.8 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.962 1.705 . . . . 0.0 110.747 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.11 124.19 41.07 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.462 0.705 . . . . 0.0 110.431 161.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -89.49 179.16 6.12 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.673 1.589 . . . . 0.0 111.42 169.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.73 -13.26 50.94 Favored Glycine 0 CA--C 1.543 1.791 0 O-C-N 120.787 -1.195 . . . . 0.0 115.505 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.86 24.73 0.26 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.188 1.375 . . . . 0.0 115.035 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -159.35 169.28 24.36 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.84 1.32 . . . . 0.0 112.313 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -121.15 144.47 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 124.519 1.127 . . . . 0.0 110.962 167.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -122.09 145.81 47.81 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.615 1.966 . . . . 0.0 110.964 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.9 t -136.81 131.05 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.713 1.605 . . . . 0.0 110.24 -173.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -123.57 132.51 53.9 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.214 1.006 . . . . 0.0 112.068 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -100.75 166.5 10.84 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.618 1.167 . . . . 0.0 114.116 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.0 tp -53.93 -26.07 23.57 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.29 2.236 . . . . 0.0 113.962 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -103.53 21.96 15.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.107 1.363 . . . . 0.0 113.216 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t0 60.88 23.55 13.58 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.67 1.988 . . . . 0.0 115.01 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -83.29 148.27 27.47 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.966 -1.084 . . . . 0.0 110.629 166.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -128.6 136.41 50.66 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.489 1.116 . . . . 0.0 111.253 173.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 -123.9 146.36 48.49 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.921 1.688 . . . . 0.0 109.591 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.39 140.68 37.49 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.875 0.87 . . . . 0.0 112.645 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -139.56 107.95 7.17 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 125.095 1.358 . . . . 0.0 111.637 -169.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.8 146.45 48.19 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.851 2.367 . . . . 0.0 112.248 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.74 4.07 84.67 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.421 1.486 . . . . 0.0 115.378 174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.9 mt -91.07 164.21 14.03 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.751 1.275 . . . . 0.0 112.438 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.12 156.59 45.38 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.238 2.215 . . . . 0.0 110.615 165.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.4 mt -73.22 110.39 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.26 -40.82 4.43 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.76 1.171 . . . . 0.0 114.203 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -144.87 148.33 33.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.754 1.222 . . . . 0.0 111.559 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -134.56 133.73 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.529 1.532 . . . . 0.0 109.022 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -143.55 97.12 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.35 1.46 . . . . 0.0 109.75 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.0 mt -77.68 -18.58 56.51 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.191 1.396 . . . . 0.0 112.908 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -70.88 -45.2 64.79 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.253 1.421 . . . . 0.0 110.164 173.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -82.91 -23.81 33.37 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.819 1.247 . . . . 0.0 113.3 173.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.04 43.17 14.33 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.231 1.396 . . . . 0.0 113.238 -175.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.28 139.08 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.509 1.523 . . . . 0.0 112.07 -173.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 66.6 mt -124.54 130.67 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.619 1.968 . . . . 0.0 109.094 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -112.33 126.31 55.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.305 1.042 . . . . 0.0 111.066 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.23 145.52 27.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.304 1.041 . . . . 0.0 111.371 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.54 155.62 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 125.865 1.666 . . . . 0.0 111.121 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -74.16 116.02 14.32 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.246 1.018 . . . . 0.0 110.408 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.85 110.77 6.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.091 0.957 . . . . 0.0 112.118 -168.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -137.09 41.0 2.48 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.856 1.663 . . . . 0.0 110.899 -173.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -71.41 -11.87 61.12 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.201 1.0 . . . . 0.0 113.032 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 C--O 1.255 1.39 0 C-N-CA 124.789 1.236 . . . . 0.0 113.509 170.127 . . . . . . . . 0 0 . 1 stop_ save_